data_1ni7_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 1ni7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 2.1 p-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' CG ' HG21 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.02 -85.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 2.7 m-85 33.53 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.16 -55.77 1.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -51.07 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -117.87 -11.65 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG21 ' CG ' ' A' ' 10' ' ' PRO . 54.6 t -116.44 70.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.52 154.32 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . . . -46.9 -29.12 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' ARG . 12.9 tp10 -74.39 -57.57 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -47.1 -40.31 15.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.27 -36.37 83.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 119' ' ' LEU . 0.7 OUTLIER -70.37 -29.72 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.8 m -77.58 -41.0 40.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 20.5 m-85 -86.12 -20.35 28.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.482 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.64 -55.36 3.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.8 mt -72.52 91.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 t -88.58 -20.71 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.5 125.66 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -53.44 -41.39 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -44.1 -39.56 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.91 -54.97 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -47.77 -56.01 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -30.25 69.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.23 -61.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 -34.03 66.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 121' ' ' LEU . 12.7 mt -52.11 -42.05 62.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -56.84 -45.83 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.4 mtt -65.4 -28.66 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -38.84 71.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.67 -50.75 46.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.36 -45.09 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.29 -44.98 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.44 144.26 72.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.14 40.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.46 115.75 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 tp -66.38 114.58 17.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.13 27.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.36 -42.76 96.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.4 tp10 -50.34 -44.03 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -35.08 64.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -54.45 -36.6 64.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.0 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.27 -19.53 53.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.95 176.68 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.19 151.56 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 135.87 33.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' VAL . 2.9 mt -133.31 108.97 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.7 42.51 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.72 34.4 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -141.57 -175.6 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -42.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -158.31 -175.14 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.68 147.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 58' ' ' ILE . 25.4 t -148.76 123.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -115.66 133.72 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.7 142.48 22.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.06 150.7 21.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.19 173.12 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -154.45 139.37 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.402 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 147' ' ' VAL . 1.4 t -81.27 129.65 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.05 -170.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.06 -48.01 80.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -79.61 -28.17 41.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 129.8 -17.14 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 9.1 mtp -79.16 150.54 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.88 111.48 14.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.54 149.01 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 46.1 p90 -165.56 123.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.47 -159.36 12.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -168.57 -175.32 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.4 t -158.47 163.37 37.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.04 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.4 110.44 3.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.83 -49.68 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 5.6 tp -50.1 -57.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.419 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 84.3 t -56.05 -46.8 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -50.71 30.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.24 94.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mt -47.24 -46.5 24.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.3 mt -48.36 -51.77 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.56 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . . . -40.81 -66.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.73 -46.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 96' ' ' LEU . 10.2 tt -59.88 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.503 HD23 ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.07 -30.69 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 15' ' ' VAL . 96.1 m -74.94 -43.53 53.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -62.14 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 107' ' ' LEU . 30.5 m -99.46 28.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.15 47.86 10.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 10.5 mttm -94.83 157.9 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ALA . 61.9 p -97.37 148.77 22.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' THR . . . -39.41 -56.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.66 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -54.01 4.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 140' ' ' ILE . 1.7 mt -47.29 -52.61 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.0 -29.17 70.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.04 -17.78 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -162.53 115.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.6 m -66.59 148.74 98.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -4.33 15.23 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.75 -17.71 59.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.85 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -53.01 -56.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 121' ' ' LEU . 30.1 m-85 -47.42 -48.41 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -67.55 -48.33 67.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -51.81 56.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 60.5 mt -75.49 -23.06 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.49 25.67 49.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 37' ' ' LEU . 33.1 mt -85.52 10.15 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 133' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.3 -56.87 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.55 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mt -48.81 -59.08 3.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.7 t -52.2 -51.31 58.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -36.09 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.49 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 143' ' ' ALA . 4.4 mt -73.86 -57.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.0 mm -42.72 -42.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' ILE . . . -66.58 -53.62 32.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 42.3 p -50.06 -34.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -63.33 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -48.8 21.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 71' ' ' VAL . 54.7 t -62.23 -42.63 96.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.401 HD21 ' N ' ' A' ' 148' ' ' LEU . 0.1 OUTLIER -58.78 -52.15 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.182 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 3.7 p80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -74.98 -35.79 2.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 3.0 p90 -53.79 88.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 159.56 -65.1 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -88.4 -70.65 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -70.72 -35.88 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.01 76.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -90.98 156.89 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -48.07 -25.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -83.73 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -44.4 -31.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.51 -51.94 56.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -67.7 -18.34 64.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.3 t30 -73.31 -30.96 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -85.04 -33.55 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.34 -24.26 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.493 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.45 -53.36 4.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 -40.85 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.49 87.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -82.12 -22.85 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 31' ' ' GLU . 2.5 mt-30 -78.86 104.81 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -43.71 -31.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -51.86 -43.69 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' ARG . 34.5 m-20 -64.79 -55.39 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -56.1 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CE1' HD11 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -62.03 -27.01 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -74.72 -64.46 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -31.5 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.09 -36.62 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 86' ' ' ARG . 61.9 mt -67.31 -36.49 76.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -30.0 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -74.82 -44.6 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -55.71 -38.33 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.91 -45.82 91.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.91 144.63 74.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 163.98 34.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.13 116.95 15.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 52' ' ' LYS . 26.9 tp -70.3 114.52 26.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 156.89 42.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.94 -44.86 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 5.0 tp10 -49.29 -46.48 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.67 -37.73 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -56.31 -37.84 70.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.34 -19.51 61.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -84.84 -13.96 49.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.9 -173.18 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.03 150.96 38.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -84.77 120.86 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 2.9 mm -86.75 154.16 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.63 101.02 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.96 -25.11 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -176.48 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 18.5 tp10 -53.72 -20.06 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 62' ' ' GLU . 3.6 m-80 -170.23 -174.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 17.9 ptp180 -65.63 118.23 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 6.0 t -116.46 139.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.43 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 28.2 m-90 -107.4 135.22 49.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.7 tt -144.9 141.87 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.62 140.26 9.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.52 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 7.2 p90 -145.9 161.2 40.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 7.1 p -156.65 177.0 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.29 139.19 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.23 -170.02 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.39 -28.94 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -94.51 -24.08 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 112.44 -19.37 22.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.6 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -71.52 154.21 41.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -137.14 104.39 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.579 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CD1' HG21 ' A' ' 99' ' ' VAL . 64.5 m-85 -88.23 146.76 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -164.85 125.78 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -155.93 -148.06 4.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -168.8 -168.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.784 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 t -164.06 158.45 19.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 1.2 pp20? -85.02 -21.19 29.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.79 118.16 5.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.471 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.82 -54.32 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 34' ' ' TYR . 6.2 tp -46.43 -61.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.2 t -55.57 -42.82 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HD3' ' CA ' ' A' ' 41' ' ' GLY . 4.8 ttt180 -52.52 -31.84 37.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.27 -47.22 7.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.548 HD21 ' CE1' ' A' ' 116' ' ' PHE . 18.9 mt -49.97 -45.83 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.2 -52.37 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.03 -54.16 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.19 -39.03 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.36 -56.03 14.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . 2.0 mp -55.02 -28.78 54.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.5 m -69.98 -26.43 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.6 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.566 HG21 ' CD1' ' A' ' 79' ' ' PHE . 19.6 m -99.55 31.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 1.1 tm-20 -55.59 95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.01 78.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.49 163.84 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -80.31 146.58 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.94 -56.98 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.03 -54.09 14.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -38.59 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 140' ' ' ILE . 5.9 mt -62.86 -41.78 99.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -71.59 -24.8 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.32 -26.96 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -115.21 113.36 23.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 m -65.51 115.78 25.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -16.9 20.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.38 -36.12 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.48 -36.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -56.44 21.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.548 ' CE1' HD21 ' A' ' 91' ' ' LEU . 16.7 m-85 -49.61 -48.96 48.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.08 -43.48 87.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -48.2 82.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.1 mt -74.76 -31.14 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 79.12 40.78 15.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.68 -59.04 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.457 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HG ' ' NH1' ' A' ' 122' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 8.6 p30 -57.92 -34.93 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -59.25 -43.49 92.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.38 -44.05 97.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.3 OUTLIER -64.2 -50.27 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.9 mm-40 -41.92 -37.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.15 71.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 33.5 mt -75.0 -45.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 141' ' ' ILE . 3.6 mm -55.1 -44.77 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.49 79.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.52 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.23 -43.61 66.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.5 p -64.83 -49.66 69.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -46.45 -35.17 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -56.55 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.77 -49.78 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.95 -56.4 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 17.8 p80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 9' ' ' HIS . 18.2 Cg_endo -75.02 -15.44 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 2.7 m-30 -67.19 76.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.37 -60.04 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.5 m -90.3 -76.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -61.13 -44.63 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 20' ' ' LEU . 23.5 t -109.17 79.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -88.51 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.555 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -61.44 -29.79 70.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.4 tt0 -75.6 -60.56 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -46.05 -39.0 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 15' ' ' VAL . 11.3 mt -65.16 -39.63 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -61.53 -19.58 62.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -79.77 -33.24 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -85.85 -21.96 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -41.41 -55.08 5.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 -42.11 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 48.3 mt -68.69 87.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -87.62 -23.65 24.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.79 123.65 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.96 -40.07 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.34 -45.99 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 82.3 m-20 -65.04 -55.88 16.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -43.52 -55.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' CD1' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -60.23 -36.34 77.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -55.09 -34.18 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.13 -41.64 65.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.57 -40.8 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.62 -41.19 92.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -42.05 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -69.33 -49.41 39.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -43.11 -39.99 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -57.7 -44.92 86.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 11' ' ' PHE . 16.1 tp -51.94 136.48 37.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 149.83 37.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 102.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.94 112.83 4.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.42 -22.48 66.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -65.72 -52.32 52.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -73.33 -31.71 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -57.62 -33.57 68.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.49 -20.67 58.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -85.74 -17.41 35.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.03 179.91 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.21 150.94 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.74 134.48 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 59' ' ' ALA . 22.1 mt -137.01 137.65 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 58' ' ' ILE . . . -137.83 101.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 135' ' ' ALA . . . 169.95 40.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -134.53 -53.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER 167.72 -31.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -147.22 173.9 12.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -41.9 150.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.22 138.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 11.2 m-90 -136.79 98.28 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -97.82 138.26 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -147.05 141.62 9.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -160.02 164.14 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -147.12 141.56 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 138.39 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.56 -177.32 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -64.86 -50.13 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -68.66 -26.26 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.29 -24.53 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.09 106.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.555 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -85.87 163.14 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.45 104.18 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 109.588 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 140' ' ' ILE . 65.7 m-85 -85.08 155.3 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 1.3 p90 -166.53 163.87 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 162.4 -160.15 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 18.5 p-10 -164.36 -173.75 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -169.73 159.88 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -38.34 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -59.58 123.28 32.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -59.23 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 34' ' ' TYR . 4.4 tp -61.95 -50.23 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.2 t -52.24 -32.88 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.9 ttt-85 -63.79 -59.83 4.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.21 91.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.25 -35.76 72.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 82' ' ' ASP . 2.9 tp -65.08 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.447 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.89 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 116' ' ' PHE . 2.6 t -41.02 -39.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 140' ' ' ILE . 9.6 tt -60.63 -56.25 23.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 7.0 mp -53.09 -29.16 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 96.9 m -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.12 69.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 107' ' ' LEU . 30.2 m -94.7 31.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.3 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 49.67 76.87 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -144.74 156.81 44.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.4 p -83.26 146.42 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB2' ' CB ' ' A' ' 144' ' ' THR . . . -41.31 -50.54 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.63 -67.47 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -48.07 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.478 ' CD1' ' CE1' ' A' ' 79' ' ' PHE . 43.3 mt -51.76 -44.98 63.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.07 -24.02 58.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -149.37 117.36 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.0 p -60.23 135.93 91.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -13.51 21.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 133' ' ' LEU . 17.8 mt -67.74 -32.1 72.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.89 -52.07 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -51.79 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 94' ' ' VAL . 79.0 m-85 -45.22 -49.07 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.28 -37.15 84.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -43.98 92.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.426 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 53.2 mt -74.68 -22.36 58.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.49 36.36 6.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.8 mt -85.07 -55.92 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 133' ' ' LEU . 2.4 tmm_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.473 HD22 ' CD2' ' A' ' 113' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.12 -37.98 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 60' ' ' GLY . . . -58.04 -53.95 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 95' ' ' LEU . 7.9 mt -62.98 -36.97 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.4 t -60.48 -57.32 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.58 -26.75 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.13 -49.66 75.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.572 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 76.9 mt -63.89 -44.65 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.409 ' O ' ' OG1' ' A' ' 144' ' ' THR . 9.7 mm -54.06 -59.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.93 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.17 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 35.7 p -59.27 -44.53 92.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.93 -36.02 26.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.03 -36.47 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.05 -53.08 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.6 mt -50.09 -52.39 35.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 27.2 p-80 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.38 20.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.0 m-30 -70.7 83.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.78 -54.59 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -101.34 -70.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.731 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -66.01 -49.91 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 20' ' ' LEU . 36.1 t -98.2 102.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.68 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -64.07 -34.33 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.55 -61.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.5 m -47.59 -43.78 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 15' ' ' VAL . 41.9 mt -64.96 -36.77 85.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -65.19 -32.37 74.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 m -83.97 -32.78 24.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 53.5 m-85 -86.58 -19.61 29.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.75 -54.42 3.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 mt -71.76 93.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -94.53 -20.46 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -88.55 131.06 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 121' ' ' LEU . 8.1 t90 -55.39 -46.07 76.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.985 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -39.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.65 -52.39 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 mttt -48.84 -56.51 8.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -58.0 -28.09 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.66 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -26.82 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.87 -35.56 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.32 -36.09 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.9 mtt -67.56 -44.04 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -43.09 -49.93 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -59.6 -60.29 9.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 13.8 mttm -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.9 -47.56 52.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.551 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 7.9 tp -54.21 136.89 59.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.95 157.16 43.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.44 106.42 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.78 108.67 1.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -65.55 -26.22 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.3 tp10 -62.51 -51.38 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.22 -32.21 62.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' CD1' ' A' ' 66' ' ' TRP . 2.2 mtmt -60.11 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.67 -23.68 56.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.6 mp0 -92.98 15.0 15.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.43 175.3 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 3.0 mtmm -109.21 149.12 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -81.62 128.99 34.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.91 101.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.56 38.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.14 -4.49 27.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -97.6 -178.93 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -46.34 -32.69 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -153.87 -165.86 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -54.02 151.64 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 63' ' ' ASN . 70.6 t -152.8 125.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 19.8 m-90 -118.47 98.6 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.6 137.66 43.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.2 142.39 11.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 7.8 p90 -150.97 174.3 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.2 p -154.15 150.15 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.44 163.33 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.14 178.35 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.42 -52.21 48.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.43 -24.17 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -20.9 46.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.24 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.607 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -80.2 158.85 26.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.77 104.23 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.607 ' CZ ' ' SD ' ' A' ' 77' ' ' MET . 77.2 m-85 -84.75 151.04 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 26.8 p90 -165.59 118.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 66' ' ' TRP . . . -156.01 -160.42 9.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -164.2 -175.07 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -164.83 158.68 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.72 -45.54 24.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -46.44 163.89 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -88.84 -56.3 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 34' ' ' TYR . 1.9 tp -70.51 -51.09 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 97.2 t -46.95 -36.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -58.19 -58.28 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.79 -47.4 91.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -47.4 -45.39 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.36 -38.35 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.513 ' HB2' ' CG ' ' A' ' 11' ' ' PHE . . . -58.79 -65.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 116' ' ' PHE . 2.0 t -39.15 -41.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 9.1 tt -59.44 -55.76 30.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 6.1 mp -54.6 -29.29 51.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER -72.54 -29.07 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.8 -37.13 65.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.578 HG23 ' CD1' ' A' ' 79' ' ' PHE . 19.4 m -96.49 32.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 96.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 44.26 78.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -144.6 163.48 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -85.66 146.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.57 -50.15 7.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.53 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -51.45 54.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.466 HD11 ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -49.32 -42.29 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 141' ' ' ILE . 4.8 mt-30 -72.44 -27.86 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.0 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.14 110.43 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -65.81 135.97 95.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.4 mt -75.31 -24.23 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.26 -53.5 55.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.486 ' CD1' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.36 -61.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE1' HG11 ' A' ' 94' ' ' VAL . 95.0 m-85 -46.22 -55.92 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.24 -34.5 70.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -52.4 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.39 -28.7 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.98 42.9 7.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.448 ' O ' ' NE1' ' A' ' 30' ' ' TRP . 14.9 mt -84.67 -57.03 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.421 ' NH1' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.19 -44.8 79.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -51.8 -43.04 62.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.1 mt -68.9 -38.69 79.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 t -66.27 -59.79 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.2 pt-20 -49.7 -29.82 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.45 86.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.579 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 38.5 mt -74.69 -35.02 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 24.6 mm -63.64 -48.45 86.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.61 -50.86 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 80.5 p -56.72 -43.8 80.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.62 -33.13 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -57.85 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.74 -54.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -46.16 -53.66 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 44' ' ' LEU . 57.6 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.42 21.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 18.2 m-30 -72.06 95.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.77 -31.71 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -89.85 -76.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -38.97 72.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 11' ' ' PHE . 29.3 m -110.67 119.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.7 OUTLIER -123.61 170.01 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 115' ' ' LEU . . . -47.92 -26.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 1.9 tt0 -76.88 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -57.18 -36.38 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' A' ' 97' ' ' THR . 0.5 OUTLIER -61.05 -56.94 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 119' ' ' LEU . 10.7 ptp180 -62.14 -17.83 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -32.41 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -85.21 -34.63 21.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m-85 -84.8 -27.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -38.62 -54.95 2.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.98 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt -64.33 86.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -81.52 -25.05 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASP . 4.6 mt-30 -75.57 110.22 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -46.17 -31.87 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.1 70.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ARG . 33.7 m-20 -66.17 -57.16 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 6.6 mttt -44.89 -60.04 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.418 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -57.28 -21.86 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.63 -67.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -29.59 56.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -51.26 -51.42 54.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 34' ' ' TYR . 2.3 mp -49.41 -39.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -26.73 60.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -24.47 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 -45.77 6.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -47.27 -46.93 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.03 -47.78 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 9' ' ' HIS . 20.5 tp -54.28 138.5 57.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.99 156.09 42.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.25 100.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.85 114.01 13.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.02 146.02 32.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.33 -33.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.2 tp10 -54.99 -46.31 75.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -72.93 -42.1 63.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -53.29 -36.68 61.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.42 -22.81 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.25 -19.19 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.49 -178.15 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -99.83 144.36 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 7.2 tp10 -82.59 126.09 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' VAL . 5.0 mt -124.02 137.95 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 41.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.76 44.95 1.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 -178.12 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -38.93 -39.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . 19.0 m-20 -157.46 179.72 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.14 147.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' ILE . 75.1 t -144.6 148.96 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.548 ' CE2' ' OE1' ' A' ' 57' ' ' GLU . 9.2 m-90 -143.22 136.3 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.96 138.02 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.17 138.19 7.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.461 ' O ' ' CG2' ' A' ' 70' ' ' THR . 41.1 p90 -153.54 171.71 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 3.1 p -158.09 140.39 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.7 t -90.16 127.29 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.22 -170.25 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.82 -49.99 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -66.37 -30.95 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.55 7.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 104.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.6 mtp -83.3 154.66 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -134.58 109.43 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -92.99 148.59 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.68 112.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.62 -153.37 5.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 5.1 p-10 -166.14 -176.6 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -171.32 163.54 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.05 -41.93 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.26 112.67 5.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -41.51 26.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -67.54 -39.76 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.1 t -67.06 -54.5 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -47.17 -42.54 19.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.57 -45.53 45.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 116' ' ' PHE . 6.8 mt -50.19 -49.72 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.67 -47.17 20.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.534 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -41.93 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.579 HG13 ' CE2' ' A' ' 116' ' ' PHE . 2.5 t -45.84 -48.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tt -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.4 -28.71 20.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 3.0 m -75.75 -38.01 58.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.21 71.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 107' ' ' LEU . 5.3 m -94.41 33.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.27 45.84 21.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -94.39 168.46 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 154.03 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 144' ' ' THR . . . -46.42 -52.31 13.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.9 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.6 -46.35 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 99' ' ' VAL . 8.9 mt -53.8 -53.17 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -62.98 -26.89 69.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.28 45.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -151.49 111.64 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.5 m -71.88 150.38 92.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.74 12.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.37 -25.66 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -61.29 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.469 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -40.89 -58.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.579 ' CE2' HG13 ' A' ' 94' ' ' VAL . 88.8 m-85 -48.91 -58.24 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.29 -41.9 76.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.16 81.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 73.5 mt -75.41 -13.95 60.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.31 16.24 64.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 116' ' ' PHE . 52.9 mt -82.88 -2.37 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.64 -58.57 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.22 -56.31 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 mt -47.38 -53.9 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.0 t -59.13 -51.46 69.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.48 -36.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.37 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 137' ' ' SER . 15.2 mt -75.44 -38.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.8 mm -55.04 -50.54 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.01 82.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.46 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -61.12 -60.13 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 104' ' ' ALA . 20.1 p -51.34 -43.55 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -49.35 -36.63 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -45.3 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.92 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -42.5 -49.72 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 5.7 p80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 6.6 p90 -54.8 120.9 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.59 -49.43 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -108.08 -76.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 -30.26 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 5.8 t -122.66 72.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.66 155.58 19.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -45.89 -31.44 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' ASN . 1.1 tt0 -72.46 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.0 m -43.14 -39.08 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -49.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.528 ' CB ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -70.34 -19.15 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 t-20 -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -84.05 -33.17 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 18.9 m-85 -86.05 -21.22 27.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.97 -55.22 3.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 31.8 mt -62.33 91.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 m -89.9 -20.91 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.73 123.03 29.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.71 -36.6 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -34.43 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 78.7 m-20 -76.75 -55.76 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 3.8 mtmt -50.01 -62.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -33.67 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -61.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -18.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.2 -49.23 75.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 mt -52.95 -32.38 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.94 -39.08 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -46.64 -28.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.13 -39.15 9.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -53.05 -41.73 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.8 -50.94 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.6 tp -53.97 140.0 52.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.0 159.21 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 115.25 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 51' ' ' LEU . 11.6 tp -74.51 114.05 30.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.6 t0 -63.17 -52.56 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -43.72 -40.91 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -73.93 -38.72 64.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 3.5 mtmp? -54.36 -35.45 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.74 -20.55 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 5.49 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.19 -178.79 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 9.1 mtmm -104.69 136.79 43.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 57' ' ' GLU . 3.8 tp10 -79.54 125.6 29.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 2.8 mt -117.29 136.98 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.41 106.44 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.77 -35.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLU . 1.1 m -74.34 -169.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' CYS . 2.3 mm-40 -37.23 -48.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -150.81 166.75 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -44.18 151.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 9.5 t -145.09 165.59 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 52' ' ' LYS . 27.5 m-90 -141.44 141.95 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 107.961 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.7 132.43 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -141.31 141.62 11.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.506 ' O ' ' CG2' ' A' ' 70' ' ' THR . 27.6 p90 -155.14 172.59 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 8.9 p -158.54 139.24 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.41 133.03 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.13 -178.24 5.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.11 -34.45 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -91.6 -26.44 18.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.77 -28.67 3.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 102.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -83.49 163.05 20.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -139.72 104.72 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.648 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CG ' HG21 ' A' ' 99' ' ' VAL . 75.5 m-85 -85.12 153.72 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 29.3 p90 -164.95 119.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.51 175.32 31.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' GLY . 1.9 m-20 -167.45 122.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.96 171.44 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -30.76 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.26 171.93 52.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -54.76 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.455 ' CG2' HD13 ' A' ' 91' ' ' LEU . 4.9 mm -53.3 -58.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.88 -34.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -57.01 -58.03 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.01 -42.71 99.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 HD13 ' CG2' ' A' ' 87' ' ' ILE . 5.1 mt -47.33 -41.35 19.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.483 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.51 -48.0 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.447 ' CB ' HD13 ' A' ' 40' ' ' LEU . . . -39.5 -59.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.558 HG12 ' CE1' ' A' ' 116' ' ' PHE . 2.7 t -48.55 -43.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 92' ' ' LEU . 10.2 tt -63.49 -56.53 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . 19.0 mt -49.36 -32.56 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 21.4 m -75.36 -28.9 59.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -70.75 -23.94 62.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.497 HG21 ' CG ' ' A' ' 79' ' ' PHE . 16.6 m -103.61 29.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -55.14 102.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.55 42.51 0.67 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.17 161.14 14.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.2 p -96.88 147.81 23.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.03 -56.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.39 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -51.79 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 140' ' ' ILE . 40.3 mt -48.2 -56.7 7.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.67 -21.18 62.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.41 -26.81 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.62 114.83 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.4 p -65.03 136.94 96.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.43 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.39 -19.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -57.16 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.87 -59.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 94' ' ' VAL . 86.6 m-85 -45.42 -55.0 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.16 -49.03 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -48.21 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.528 ' CD2' ' CB ' ' A' ' 21' ' ' ARG . 16.7 mt -75.15 -28.52 60.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 83.86 29.35 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.45 HD13 ' CE2' ' A' ' 24' ' ' PHE . 80.0 mt -84.79 -13.54 50.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -64.93 -34.77 79.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 19.5 mt -76.48 -45.18 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 t -65.44 -51.59 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -52.22 -30.84 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.09 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 107' ' ' LEU . 14.4 mt -75.23 -40.19 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.36 -53.28 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.48 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.492 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -58.35 -59.3 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 p -55.62 -46.7 77.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.9 -33.95 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.51 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.73 -52.63 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.4 mt -47.66 -58.03 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 7.1 p80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 8.0 p90 -54.87 121.2 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.36 -42.28 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.6 m -75.43 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -115.36 -33.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.37 71.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -80.15 158.53 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -51.72 -26.06 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.5 tp10 -80.06 -59.2 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 m -45.8 -35.08 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.89 -39.64 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -68.72 -25.37 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -70.53 -33.04 70.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -80.46 -33.88 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.17 -27.56 26.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -40.4 -54.83 4.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 50.5 mt -70.04 99.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.8 p -97.86 -18.23 18.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.68 120.88 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.494 ' CZ2' ' CE1' ' A' ' 34' ' ' TYR . 7.6 t90 -45.4 -50.06 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -38.16 -37.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 67.6 m-20 -70.87 -57.07 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.52 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE1' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -56.06 -30.05 61.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.71 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -56.49 -36.86 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.53 -35.97 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -66.58 -41.87 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttp -61.16 -41.52 96.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -42.97 -48.45 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.55 -47.8 89.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -51.4 -41.87 61.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.48 -41.08 84.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 92' ' ' LEU . 8.1 mp -58.65 142.44 83.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.45 35.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.43 97.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.09 119.27 47.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.76 36.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.13 -27.11 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 tp10 -62.51 -45.27 93.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -28.55 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -60.03 -35.45 75.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -14.24 60.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -87.17 -20.51 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.99 -170.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -108.89 152.14 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 133.88 34.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.9 mt -134.91 147.46 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.58 68.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -142.63 12.84 2.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.61 -50.64 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.08 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -147.43 -177.21 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -45.27 136.83 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 58' ' ' ILE . 68.8 t -138.16 123.26 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 13.3 m-90 -115.53 134.22 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.22 133.28 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.49 139.64 10.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 143' ' ' ALA . 34.8 p90 -148.27 164.1 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -146.4 157.71 43.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.18 162.6 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.61 -177.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.67 -53.31 40.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -65.97 -18.26 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 86.3 -16.36 44.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -50.07 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.503 ' HE2' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -75.32 159.78 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.88 104.59 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CD1' HG23 ' A' ' 99' ' ' VAL . 80.5 m-85 -84.22 145.86 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -165.18 125.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -162.62 -155.5 8.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.462 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 5.9 p-10 -166.05 -175.81 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.79 160.84 20.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -44.89 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.68 124.71 33.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -53.91 -59.2 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.86 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.38 -47.32 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.495 ' O ' ' CD2' ' A' ' 92' ' ' LEU . 8.4 ttm180 -57.04 -60.1 4.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.69 -41.11 26.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.58 -52.27 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -46.9 -42.41 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.16 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 116' ' ' PHE . 4.5 t -39.34 -48.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CD2' ' CD1' ' A' ' 140' ' ' ILE . 9.5 tt -52.3 -51.78 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . 4.7 mp -61.19 -27.87 68.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 53.9 m -75.06 -27.22 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -34.42 61.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.537 HG23 ' CD1' ' A' ' 79' ' ' PHE . 27.4 m -101.86 32.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 94.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.47 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -144.41 168.08 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.1 p -88.18 147.54 24.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 144' ' ' THR . . . -45.73 -55.43 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.98 -54.76 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -51.86 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' CD1' HG13 ' A' ' 99' ' ' VAL . 21.6 mt -49.75 -49.51 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.18 -30.0 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.22 -18.08 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -144.8 104.39 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -64.58 145.03 98.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -22.93 14.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -46.28 -52.25 12.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.456 HD13 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.24 -59.87 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 94' ' ' VAL . 78.9 m-85 -47.47 -49.98 24.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -63.72 -43.98 94.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.52 84.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 115' ' ' LEU . 88.2 mt -74.99 -27.85 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.93 31.07 7.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.0 mt -86.25 -53.99 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.547 HD21 ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -38.21 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -63.82 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.57 -37.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.4 t -65.79 -69.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 5.7 pt-20 -45.03 -30.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.438 ' CD1' ' CD2' ' A' ' 95' ' ' LEU . 23.3 mt -75.23 -36.17 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.33 -47.5 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.23 97.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -61.41 -49.57 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 104' ' ' ALA . 4.2 p -59.07 -53.77 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -32.34 45.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -37.85 74.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -75.07 -50.37 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.8 -52.94 28.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 60.4 m170 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.05 -37.36 2.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.579 ' CE2' HD11 ' A' ' 96' ' ' LEU . 8.0 p90 -54.4 112.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.53 -38.49 1.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -120.9 -79.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -63.06 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 10' ' ' PRO . 50.9 t -123.3 117.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.52 176.58 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 2.2 tt0 -84.52 -56.35 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -60.91 -37.47 82.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.71 -57.52 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' CB ' HD21 ' A' ' 119' ' ' LEU . 13.0 ptt180 -63.43 -18.8 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.57 -32.35 71.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.402 ' C ' ' HD2' ' A' ' 26' ' ' PRO . 12.6 m -84.43 -32.46 24.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 23.1 m-85 -84.12 -30.79 25.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.47 -55.58 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.6 91.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -81.74 -23.46 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.89 123.16 27.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -55.12 -36.42 65.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -37.71 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -71.17 -56.93 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -50.29 -49.07 54.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -58.64 3.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' MET . 48.5 tp60 -59.08 -41.89 89.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -42.87 -41.04 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.8 mt -59.59 -46.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -57.13 -37.86 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -49.0 -29.99 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.78 -33.17 31.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.43 -53.24 57.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -47.55 -46.87 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 17.2 tp -54.78 137.38 64.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 151.34 39.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.31 99.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.5 119.86 39.82 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -65.19 -48.35 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 10.0 pt-20 -45.6 -43.22 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -73.76 -37.67 64.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.22 -33.27 40.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.22 57.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.28 -19.96 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 -165.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -117.12 152.02 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.3 131.45 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.3 mt -129.09 148.43 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.49 174.96 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.39 -17.39 55.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 m -90.84 -176.47 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -40.24 -52.75 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.0 m120 -150.05 -177.09 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.22 145.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ILE . 75.9 t -141.51 125.73 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 64' ' ' ARG . 19.7 m-90 -116.77 134.14 55.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -147.7 138.32 23.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.75 156.53 26.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.432 ' O ' ' CG2' ' A' ' 70' ' ' THR . 27.8 p90 -167.34 169.24 12.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 13.1 p -155.82 157.02 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 75' ' ' GLY . 2.9 t -105.86 144.82 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.04 177.29 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -19.21 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.83 -32.89 15.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 71' ' ' VAL . . . 128.15 -26.67 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.0 mttt -44.55 157.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 76' ' ' LYS . 75.2 mtp -148.85 140.99 23.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.49 103.83 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' HG23 ' A' ' 99' ' ' VAL . 65.1 m-85 -76.25 149.47 37.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 68' ' ' GLY . 44.9 p90 -159.16 169.41 24.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 157.68 -149.04 19.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 6.2 p-10 -172.09 -175.72 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -163.07 157.85 21.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.08 -35.22 32.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.17 156.48 50.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -58.79 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.66 -64.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -41.41 -32.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.83 -51.01 6.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.6 mt -46.85 -30.13 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.79 -50.54 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.434 ' CB ' ' CD1' ' A' ' 40' ' ' LEU . . . -46.29 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.579 HG12 ' CE2' ' A' ' 116' ' ' PHE . 6.8 t -44.45 -46.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.03 -49.35 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD11 ' CE2' ' A' ' 11' ' ' PHE . 45.6 mt -64.38 -28.33 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -75.63 -28.84 58.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.43 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 107' ' ' LEU . 32.8 m -114.05 31.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.64 94.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.82 77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -144.67 157.92 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 p -84.72 160.51 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.31 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.62 -54.33 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -35.7 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 99' ' ' VAL . 12.0 mt -64.09 -52.78 57.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.94 -22.46 62.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.19 -19.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 107' ' ' LEU . 22.2 tt0 -142.82 108.89 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -62.62 130.44 93.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.91 -20.95 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASP . . . -52.44 -61.07 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.94 -59.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 94' ' ' VAL . 86.7 m-85 -47.94 -37.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -73.69 -49.45 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -57.13 -42.84 81.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.484 HD21 ' CB ' ' A' ' 21' ' ' ARG . 15.1 mt -74.25 -31.46 62.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.11 39.98 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 116' ' ' PHE . 18.8 mt -85.37 -50.75 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.49 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.2 m-20 -57.32 -61.05 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.73 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.93 -56.79 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 t -65.08 -47.76 76.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 2.0 mm-40 -47.73 -35.3 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.19 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 144' ' ' THR . 15.1 mt -74.71 -40.29 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.9 mm -54.42 -47.72 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.25 86.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.02 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 47.4 p -54.43 -44.32 72.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -47.39 -33.64 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -49.97 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.71 -40.3 86.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.09 -27.74 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.0 m170 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.28 11.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE1' HD22 ' A' ' 96' ' ' LEU . 18.9 p90 -69.21 125.53 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -32.55 4.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 m -81.92 -80.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.4 m -103.78 -5.38 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -133.54 70.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.501 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 10.1 t -100.29 -167.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -65.79 -44.25 86.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.7 tt0 -63.31 -61.51 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -53.45 -36.24 61.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' THR . 13.6 mt -63.89 -57.71 8.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 119' ' ' LEU . 5.2 ptm180 -64.87 -25.17 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.406 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 20.1 m -77.66 -25.01 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 13.6 m-85 -86.6 -24.61 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.516 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -40.2 -51.86 5.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.92 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -45.98 94.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.7 m -85.5 -23.66 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.405 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -84.96 110.89 19.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ASP . 6.0 t90 -45.18 -46.4 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 107.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -42.12 -27.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' TRP . 42.6 m-20 -64.99 -57.59 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -46.57 -52.18 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -65.54 -29.8 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -61.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 39' ' ' MET . 25.0 tt0 -54.32 -35.87 63.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.39 -31.12 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.45 -62.46 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.1 ptt? -46.21 -30.78 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -42.14 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.93 93.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -48.32 -51.8 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -56.01 -50.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 20.7 tp -54.28 138.62 57.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 148.65 35.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 104.12 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.66 114.78 9.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.6 42.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.05 -25.92 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.6 mm-40 -64.69 -45.92 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.04 -39.12 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 11.2 mtmt -53.78 -33.02 54.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.47 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -83.11 -16.88 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.98 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mtmm -115.84 150.89 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.25 133.41 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.16 113.99 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.4 60.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.26 35.9 1.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.53 -179.06 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -41.59 -37.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.92 -174.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -41.95 148.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.2 t -144.36 144.42 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.9 m-90 -135.84 136.45 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -154.13 137.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.26 141.2 10.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 143' ' ' ALA . 15.4 p90 -146.49 157.88 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -140.87 142.39 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG21 ' CG ' ' A' ' 77' ' ' MET . 3.2 t -105.65 162.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.67 -179.18 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.82 -53.07 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.82 -22.63 66.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 92.1 -17.63 56.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.477 ' CG ' HG21 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -77.73 157.95 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -137.73 104.34 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.594 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 99' ' ' VAL . 76.9 m-85 -84.51 147.32 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 34.7 p90 -165.21 117.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -153.43 -149.49 5.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 3.9 p-10 -174.98 -176.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -167.16 168.67 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -47.38 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.45 136.65 21.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -59.16 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 34' ' ' TYR . 4.2 tp -61.19 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 75.6 t -52.41 -41.98 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -50.9 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.99 10.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mt -46.73 -33.88 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 -54.35 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . -49.13 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.443 HG12 ' CZ ' ' A' ' 116' ' ' PHE . 1.1 t -40.77 -42.35 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' ALA . 6.6 tt -59.24 -61.38 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.58 HD22 ' CE1' ' A' ' 11' ' ' PHE . 4.7 mp -46.7 -29.97 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -74.79 -38.21 62.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -66.88 -16.22 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 79' ' ' PHE . 16.2 m -112.12 31.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 37.3 tt0 -55.53 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 37.26 45.89 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 160.55 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.5 p -96.97 146.63 24.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.16 -57.59 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.85 -61.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -45.83 -50.14 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.475 HD23 ' CG1' ' A' ' 99' ' ' VAL . 29.9 mt -51.4 -55.25 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -60.5 -24.68 65.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.32 -28.9 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -136.35 113.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.1 p -68.17 144.39 96.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.98 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 133' ' ' LEU . 15.2 mt -61.14 -22.07 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.57 74.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -52.55 -52.6 54.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 74.4 m-85 -50.8 -52.98 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.4 -34.6 75.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.83 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 79.2 mt -75.56 -21.93 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.86 43.22 6.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.55 -37.11 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.422 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 9.4 p30 -60.98 -31.78 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -65.55 -37.92 88.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.73 -37.57 59.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -65.11 -54.37 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 139' ' ' ALA . 8.1 pt-20 -48.97 -32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 138' ' ' GLU . . . -54.4 -41.67 69.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.438 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 27.5 mt -74.97 -43.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.5 mm -51.46 -50.32 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -65.12 -53.85 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 38.6 p -58.06 -42.7 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -35.91 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -38.98 61.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.79 -55.22 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -48.3 -50.81 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -23.2 13.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 3.0 m-30 -73.94 82.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.49 -47.75 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.04 -68.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -79.37 -42.47 25.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 19.5 t -104.05 73.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.46 173.19 12.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -62.2 -33.94 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.1 tp10 -73.61 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -44.88 -38.48 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.31 -42.54 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -62.46 -18.86 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -37.07 65.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.9 m -76.57 -35.3 58.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 14.3 m-85 -86.35 -23.89 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.95 -52.88 5.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.34 89.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' PRO . 6.2 t -86.83 1.63 51.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -105.95 144.5 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -81.47 -40.99 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.6 pt-20 -52.59 -43.24 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -64.74 -48.74 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 16.8 mtmt -54.02 -56.35 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.7 -26.62 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -60.64 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.02 -32.18 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 40' ' ' LEU . 9.2 mt -49.86 -39.56 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.37 -39.94 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 mtt -70.4 -29.03 65.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.11 -39.25 55.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.17 -42.52 83.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -50.39 -38.18 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.503 ' CD2' ' OD2' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 154.96 43.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.12 116.48 15.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 52' ' ' LYS . 31.4 tp -69.95 117.47 54.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.05 36.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.78 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.0 tp10 -44.07 -44.17 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -37.82 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -54.89 -39.17 68.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.18 -21.58 62.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.1 mp0 -83.76 -12.27 55.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.12 -176.21 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.5 154.91 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -84.82 126.96 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.3 mm -107.35 162.75 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -156.66 173.58 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.39 -10.79 62.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.45 169.15 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.44 -12.13 49.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -163.37 -179.55 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -60.73 140.44 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 4.0 p -152.64 165.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.464 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 18.1 m-90 -142.88 171.11 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.39 126.67 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.559 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -127.7 138.93 10.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 143' ' ' ALA . 18.7 p90 -144.37 166.7 24.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 6.1 p -158.97 178.01 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.69 135.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.51 -164.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -82.27 -30.84 30.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.41 -16.29 26.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 101' ' ' GLY . 1.3 mtmt -44.93 101.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.28 154.65 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -143.26 104.04 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' A' ' 99' ' ' VAL . 77.8 m-85 -84.33 154.68 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.559 ' CE2' ' HA3' ' A' ' 68' ' ' GLY . 7.0 p90 -165.42 119.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 82' ' ' ASP . . . -149.95 -170.4 17.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.503 ' OD2' ' CD2' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -164.91 160.1 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.457 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 18.9 t -150.73 171.88 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -56.75 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.58 141.85 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -56.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CG2' HD13 ' A' ' 91' ' ' LEU . 15.5 mm -62.17 -39.18 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.49 -37.08 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.23 -53.13 59.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.81 82.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' CG2' ' A' ' 87' ' ' ILE . 8.4 mt -47.55 -42.91 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.34 -41.71 93.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -50.12 -49.38 51.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 116' ' ' PHE . 2.4 t -60.92 -34.96 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.91 -57.83 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.49 ' CD1' ' HG ' ' A' ' 92' ' ' LEU . 5.0 mp -49.07 -26.13 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 18.5 m -75.21 -48.84 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.88 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.562 ' HB ' ' CE1' ' A' ' 79' ' ' PHE . 20.2 m -103.26 33.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 100' ' ' GLU . 2.3 tm-20 -55.25 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.49 45.71 2.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.95 162.53 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -91.32 157.42 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.15 -46.92 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -47.09 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.408 ' CD2' HG13 ' A' ' 99' ' ' VAL . 4.0 mt -51.72 -46.31 63.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -75.06 -21.98 58.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.29 61.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -151.18 131.22 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -72.78 145.44 86.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -0.82 10.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 mt -79.59 -19.36 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.89 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -41.22 -61.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 94' ' ' VAL . 91.7 m-85 -45.51 -54.85 6.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -59.76 -41.58 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -61.24 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.54 -20.66 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.37 30.95 53.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 99.7 mt -84.61 -21.06 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.417 ' NH1' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 1.1 m-80 -47.85 -54.63 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.35 -56.61 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 mt -43.28 -55.72 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 t -63.07 -49.29 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.7 mm-40 -45.83 -35.97 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.6 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 37.0 mt -74.08 -42.07 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 43.3 mm -56.35 -54.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.09 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 69' ' ' TYR . . . -71.52 -47.84 52.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 43.7 p -62.54 -45.53 92.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -48.81 -35.36 14.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.12 81.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.14 -43.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -36.9 77.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 15.9 p80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.01 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -68.38 59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 150.98 44.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.19 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -117.21 -34.72 4.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.12 107.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.6 OUTLIER -127.36 155.55 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.452 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 115' ' ' LEU . . . -47.58 -31.55 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.58 -60.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -49.26 -43.63 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.82 -37.54 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.33 -32.38 56.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.39 -42.36 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -26.47 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' CD2' HD23 ' A' ' 119' ' ' LEU . 10.1 m-85 -86.72 -18.6 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.79 -54.41 3.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 -28.18 9.36 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 28' ' ' THR . 43.0 mt -62.93 -129.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.58 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 88.59 4.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.435 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' TRP . 30.0 mt-30 -109.58 112.71 24.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.703 ' N ' ' HZ2' ' A' ' 33' ' ' LYS . 1.3 t90 -37.65 -52.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -51.79 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -70.7 -55.38 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.703 ' HZ2' ' N ' ' A' ' 30' ' ' TRP . 1.7 mtpt -43.66 -55.97 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 1.7 t80 -58.85 -30.93 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -54.19 -32.19 54.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.19 -36.1 18.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.42 -38.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.7 mmt -62.44 -36.76 83.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -52.4 -28.38 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.27 -54.18 5.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -44.33 -51.72 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.59 -43.39 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.53 138.61 29.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.85 39.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.09 116.77 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 51' ' ' LEU . 26.9 tp -68.82 117.79 54.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.6 30.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -64.87 -55.83 17.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -42.59 -41.18 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.1 mm? -73.98 -39.24 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 28.1 mttt -52.54 -37.64 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.51 61.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -81.22 -13.63 58.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.08 -174.88 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -113.89 147.65 38.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.43 85.05 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.9 mt -66.93 135.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.36 83.81 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 169.97 48.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 56.5 m -134.72 -49.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER 166.4 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -151.11 -175.84 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -50.43 128.21 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.478 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 61.6 t -129.65 152.98 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 9.7 m-90 -142.88 121.8 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -137.15 137.07 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -142.05 141.19 10.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 70' ' ' THR . 10.5 p90 -155.76 168.1 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 0.799 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 4.8 p -156.95 144.41 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 98.0 t -98.23 132.37 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.26 169.4 10.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -39.65 60.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -69.56 -31.83 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.42 -32.13 5.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 108.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.454 ' HG3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -82.99 164.23 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 104.49 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CD2' HG23 ' A' ' 99' ' ' VAL . 92.0 m-85 -89.31 148.7 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 55.4 p90 -165.31 121.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -159.25 -162.32 11.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.6 -174.59 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.82 164.31 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -47.41 17.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -69.29 113.28 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -46.0 -55.91 6.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 91' ' ' LEU . 6.3 tp -47.48 -56.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.5 t -63.05 -24.79 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.8 ttt180 -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.48 ' CA ' ' HB3' ' A' ' 40' ' ' LEU . . . -61.05 -44.87 97.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 ' CD2' ' CE1' ' A' ' 116' ' ' PHE . 2.5 mt -50.29 -52.39 36.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.99 -43.44 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.15 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.575 HG13 ' CE2' ' A' ' 116' ' ' PHE . 2.6 t -42.65 -52.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tt -48.88 -62.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 11' ' ' PHE . 4.6 mp -52.74 -30.48 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.44 -27.7 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.32 -21.75 59.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.577 HG23 ' CD2' ' A' ' 79' ' ' PHE . 19.4 m -113.25 24.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -54.96 121.58 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 34.43 72.4 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -144.42 162.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.3 p -92.96 148.74 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.72 -51.12 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.04 -53.77 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -49.71 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.446 HD23 ' CG1' ' A' ' 99' ' ' VAL . 5.3 mt -50.73 -46.79 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -69.48 -26.72 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.76 -17.83 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 103.94 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.23 134.55 75.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.2 20.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -72.41 -19.92 61.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.27 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.65 -59.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 94' ' ' VAL . 91.8 m-85 -48.2 -56.84 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -56.54 -32.59 65.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -53.72 37.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 24' ' ' PHE . 63.8 mt -75.66 -13.46 60.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.58 22.93 48.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 94' ' ' VAL . 16.2 mt -85.14 -11.38 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 116' ' ' PHE . 5.5 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.524 HD12 ' CG ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.59 -57.41 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.37 3.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 mt -41.26 -56.11 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 40.8 t -62.1 -51.56 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.07 -35.35 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.99 -57.83 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.556 HD11 ' CE1' ' A' ' 79' ' ' PHE . 34.1 mt -62.45 -36.75 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.7 mm -55.52 -53.41 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.91 77.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.2 -55.59 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 p -53.87 -44.18 70.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -32.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -45.34 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.35 -49.5 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.7 mt -50.18 -54.86 17.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.0 -21.51 15.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 2.3 m-30 -64.36 74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 168.05 -57.91 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.8 -80.18 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -58.98 -40.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 t -103.51 131.38 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.1 OUTLIER -146.39 164.14 33.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.419 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . . . -52.35 -39.18 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 35.4 tt0 -72.72 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -48.72 -38.27 21.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.19 -31.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 5.9 ttp85 -67.63 -21.89 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.02 -26.58 62.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 99.3 m -75.14 -44.78 45.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 31.6 m-85 -86.82 -19.06 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.14 -53.33 3.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.01 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -49.58 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.9 m -75.81 -22.98 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.78 149.26 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -86.93 -33.45 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.04 -18.63 61.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.42 -62.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 87' ' ' ILE . 1.9 t80 -56.52 -40.09 74.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -60.94 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 tm0? -57.85 -34.44 69.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.13 -56.81 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.87 -43.82 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.88 95.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -31.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -79.69 -51.86 4.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 mtmt -40.2 -46.06 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.94 -47.2 52.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' GLY . 14.3 tp -55.09 137.87 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 154.36 42.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 127.23 83.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.97 30.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.88 -25.48 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -64.87 -44.58 89.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -27.66 60.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.03 -34.44 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.73 60.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -82.68 -20.69 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.49 -167.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -114.35 152.35 31.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -85.14 136.67 33.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 136' ' ' LEU . 12.5 mt -137.52 138.05 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' N ' HG21 ' A' ' 58' ' ' ILE . . . -148.13 88.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.95 42.67 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -47.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 170.22 -31.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ARG . 60.2 m-80 -149.35 165.77 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -37.35 144.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 82.0 t -140.04 138.32 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 6.2 m-90 -131.41 136.31 47.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.17 135.46 18.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.68 141.72 10.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' O ' ' CG2' ' A' ' 70' ' ' THR . 42.6 p90 -154.8 170.11 22.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 12.4 p -157.99 139.74 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.433 ' CG1' ' HA2' ' A' ' 75' ' ' GLY . 2.3 t -80.87 129.76 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.99 -176.23 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.48 -35.66 81.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -89.84 -27.03 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' A' ' 71' ' ' VAL . . . 131.45 -21.63 4.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.2 mtp -84.74 148.53 26.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 104.28 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 99' ' ' VAL . 81.8 m-85 -86.1 143.92 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 15.7 p90 -164.53 128.67 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -156.62 -154.79 7.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 4.3 p-10 -171.05 -177.32 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -170.8 166.11 7.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -46.55 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.37 116.0 8.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -53.52 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.429 HD12 ' CE1' ' A' ' 34' ' ' TYR . 17.8 mm -59.27 -61.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.75 -43.33 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -49.04 77.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.03 -44.21 98.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.87 -42.61 37.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 88.6 mt -53.41 -54.55 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -38.31 -64.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 116' ' ' PHE . 3.0 t -44.0 -43.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -60.81 -51.94 67.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 3.4 mm? -54.72 -32.61 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.7 -31.3 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.98 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 79' ' ' PHE . 16.4 m -94.55 31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.6 tm-20 -55.72 91.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.57 44.75 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -95.27 162.25 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.3 p -94.06 146.97 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -40.07 -57.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.45 -51.74 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -54.97 12.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 140' ' ' ILE . 10.0 mt -47.45 -48.65 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.42 -29.69 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.31 -19.64 53.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 109.42 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 142.92 98.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.41 15.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 116' ' ' PHE . 17.6 mt -78.86 -40.63 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . . . -40.18 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -64.56 -54.05 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 94' ' ' VAL . 25.6 m-85 -49.18 -42.94 41.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -71.13 -28.62 64.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -59.03 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.25 -26.03 58.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.06 43.77 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 94' ' ' VAL . 22.8 mt -85.5 -26.51 26.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 134' ' ' ASN . 0.9 OUTLIER -75.03 -34.63 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.416 ' N ' ' ND2' ' A' ' 134' ' ' ASN . . . -64.34 -37.85 88.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 58' ' ' ILE . 8.5 mt -75.08 -42.58 56.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -65.91 -53.4 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.6 -31.54 25.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.21 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 79' ' ' PHE . 21.3 mt -75.81 -37.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.4 mm -58.85 -46.33 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.488 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -67.08 -55.68 13.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.482 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 7.8 p -50.0 -36.2 27.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -34.82 70.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -41.5 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.16 -53.14 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mt -45.34 -47.26 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.67 21.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HB1' ' A' ' 93' ' ' ALA . 20.0 m-85 -73.02 70.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.91 44.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.92 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -36.25 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.31 87.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 1.0 OUTLIER -104.88 179.59 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.526 ' CB ' ' CD2' ' A' ' 115' ' ' LEU . . . -61.37 -26.93 68.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.63 -61.32 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -48.69 -42.19 34.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -63.02 -40.83 98.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -23.33 65.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -67.97 -23.0 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -84.48 -36.24 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 28.7 m-85 -86.05 -26.38 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.68 -53.44 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.0 Cg_endo -75.07 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.812 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 21.9 mt -58.67 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -78.9 -22.57 45.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.62 115.16 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.432 ' CZ2' ' O ' ' A' ' 120' ' ' GLY . 1.4 t-105 -48.11 -44.23 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 107.989 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.63 -36.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ARG . 73.9 m-20 -64.64 -57.2 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 12.8 mttt -44.17 -57.51 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.427 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.53 -23.74 66.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -75.49 -63.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' MET . 60.5 tp60 -55.01 -40.13 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD2' HD11 ' A' ' 40' ' ' LEU . 13.5 mt -43.75 -50.83 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' A' ' 34' ' ' TYR . 3.6 mt -54.08 -38.88 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' GLN . 1.8 mtt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.17 -30.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 -42.53 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -46.19 -54.45 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -44.64 -44.23 8.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.6 131.91 77.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.03 40.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 99.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -55.47 125.96 61.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.13 41.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 tp10 -56.38 -45.36 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -36.26 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.33 -37.65 70.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.58 62.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -86.61 -10.52 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -179.49 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.72 148.82 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.62 137.22 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.2 mt -135.22 110.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.0 89.82 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.92 33.9 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.33 -172.32 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -36.38 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ARG . 74.0 m-20 -162.49 -178.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.46 148.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' ILE . 81.6 t -144.65 128.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 14.6 m-90 -120.27 145.55 46.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.44 132.08 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -140.89 140.22 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 9.8 p90 -149.12 170.64 17.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 p -152.9 137.54 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.33 142.63 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.29 178.94 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -29.75 70.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -83.6 -8.91 59.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -20.53 44.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -45.09 163.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -151.5 156.01 39.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -143.03 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 140' ' ' ILE . 72.7 m-85 -81.01 151.97 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 69' ' ' TYR . 28.7 p90 -165.42 119.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -150.73 -149.32 5.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -174.57 170.17 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 t -156.9 167.1 31.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -51.57 6.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.75 155.4 1.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -59.33 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.38 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.414 ' N ' HG23 ' A' ' 87' ' ' ILE . 41.5 t -66.55 -50.51 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' O ' ' CD2' ' A' ' 92' ' ' LEU . 22.5 ttm180 -46.56 -55.98 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.43 -45.52 94.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mt -48.87 -44.21 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -60.91 -55.32 34.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB1' ' CE2' ' A' ' 11' ' ' PHE . . . -39.01 -57.92 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 116' ' ' PHE . 2.0 t -46.78 -44.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 92' ' ' LEU . 7.9 tt -56.98 -48.71 77.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mm? -56.91 -30.23 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 1.3 m -76.83 -31.24 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.43 -31.3 60.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' GLY . 20.7 m -92.04 30.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 48.59 41.94 26.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -93.77 162.14 14.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.3 p -104.9 152.02 23.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.79 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.57 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.49 -52.9 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 140' ' ' ILE . 12.1 mt -47.91 -44.18 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.23 -28.02 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.64 -23.85 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -146.36 116.93 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.8 p -70.51 143.54 90.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.24 18.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.66 -28.68 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -48.91 -60.19 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.526 ' CD2' ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -38.74 -61.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CZ ' HG11 ' A' ' 94' ' ' VAL . 94.9 m-85 -46.96 -51.76 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.43 -38.49 87.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.91 75.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.73 -26.21 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.18 40.91 8.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.02 -54.25 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.451 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.451 HD11 ' CZ ' ' A' ' 122' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -49.3 -39.93 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.23 80.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.94 -41.51 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -57.65 -54.36 47.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.16 -27.76 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.25 -37.21 74.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.546 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 32.2 mt -74.74 -47.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.5 mm -51.09 -49.55 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 69' ' ' TYR . . . -73.49 -45.51 53.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 29.3 p -63.99 -44.31 93.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -48.33 -40.75 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.76 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 94.4 t -73.64 -49.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.2 mt -50.8 -43.89 58.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.525 ' CG ' ' HA ' ' A' ' 93' ' ' ALA . 3.8 m-85 -73.78 61.46 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.4 -36.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -105.42 -89.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -54.17 -47.37 72.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.77 103.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 -179.49 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . . . -63.46 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.61 -61.17 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -49.63 -46.51 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.15 -35.55 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -61.39 -28.44 69.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -34.51 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -73.27 -35.84 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 46.4 m-85 -85.94 -23.07 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.48 -54.74 3.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 -42.59 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.76 98.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -98.15 -16.19 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.99 115.76 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.8 t90 -43.35 -44.59 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 10.6 pt-20 -40.41 -48.03 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 67.1 m-20 -65.02 -46.34 81.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -52.39 -53.36 45.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.1 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -73.92 -56.55 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 52.8 tp60 -57.16 -42.2 80.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -43.39 -47.43 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 86' ' ' ARG . 7.9 mt -54.27 -42.57 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -60.5 -43.15 97.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.41 -32.87 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -70.78 -47.1 41.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -43.32 -48.25 6.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -50.54 56.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.08 126.16 25.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.26 40.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.43 102.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 115.0 7.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.225 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -47.52 77.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -45.08 -46.53 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -73.77 -44.93 54.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 1.1 mtmt -53.1 -32.44 47.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.16 -28.34 60.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -81.04 -17.08 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.98 176.55 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -107.41 153.54 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -85.02 129.8 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.434 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 4.5 mt -128.7 152.02 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 58' ' ' ILE . . . -162.09 86.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.99 52.91 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 m -146.37 -48.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 172.66 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ARG . 21.2 m-20 -148.75 173.12 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -37.89 146.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 95.6 t -142.32 150.78 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' ' HD3' ' A' ' 52' ' ' LYS . 7.6 m-90 -143.21 144.03 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -146.91 132.6 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -146.46 137.44 6.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 143' ' ' ALA . 14.0 p90 -149.35 160.1 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -146.23 140.28 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.04 141.66 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.21 -175.01 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.37 -39.87 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.0 p-10 -85.85 -28.15 24.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.05 -19.08 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.456 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -44.68 100.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -85.74 161.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -142.93 104.36 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 64.5 m-85 -85.16 152.98 22.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 2.2 p90 -165.73 170.21 14.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.061 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.31 -151.78 20.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.135 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 2.8 p-10 -172.9 164.68 5.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.441 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 5.6 t -154.95 158.25 38.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -46.42 27.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -52.63 121.97 17.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.466 ' HB3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.33 -59.1 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.9 -55.94 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 t -47.32 -35.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 83' ' ' SER . 7.5 ttt85 -70.6 -44.19 67.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.32 -42.29 90.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.5 mt -50.18 -39.94 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 82' ' ' ASP . 10.7 mt -46.84 -49.75 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.525 ' HA ' ' CG ' ' A' ' 11' ' ' PHE . . . -48.51 -67.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 116' ' ' PHE . 5.7 t -47.81 -37.32 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 136' ' ' LEU . 9.1 tt -65.06 -55.52 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 80' ' ' PHE . 8.8 mp -61.3 -25.87 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.45 -31.1 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.84 64.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 107' ' ' LEU . 24.9 m -103.78 32.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.26 80.9 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -144.78 158.23 43.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.9 p -75.62 146.3 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 144' ' ' THR . . . -52.72 -37.8 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -30.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.513 ' CD1' ' CE1' ' A' ' 79' ' ' PHE . 8.9 mt -64.19 -40.73 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' ALA . 5.3 mt-30 -71.53 -27.02 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.22 -29.21 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -102.71 119.6 39.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.8 p -75.65 113.94 31.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.91 2.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 137' ' ' SER . 13.3 mt -59.26 -31.5 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.57 -43.6 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -50.16 -59.73 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 94' ' ' VAL . 76.2 m-85 -46.2 -52.35 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -63.04 -36.46 83.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -48.48 78.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.39 35.37 8.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 116' ' ' PHE . 22.3 mt -84.25 -42.9 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 138' ' ' GLU . . . -64.03 -49.01 74.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 95' ' ' LEU . 8.1 mt -63.73 -36.12 82.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.401 ' CB ' HD23 ' A' ' 113' ' ' LEU . 2.8 t -60.68 -59.86 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 135' ' ' ALA . 7.8 pt-20 -51.35 -29.08 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.97 82.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.482 ' O ' ' CG2' ' A' ' 144' ' ' THR . 16.4 mt -72.35 -36.32 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.8 mm -62.26 -56.04 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.83 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.571 ' HB3' ' CE2' ' A' ' 69' ' ' TYR . . . -75.18 -49.5 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 28.9 p -65.47 -48.02 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -27.65 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.28 -49.85 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.59 -34.39 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.22 -53.86 46.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.413 ' CB ' ' HB ' ' A' ' 14' ' ' THR . 18.1 Cg_endo -75.04 -13.3 21.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' ALA . 17.0 m-85 -65.39 85.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.02 -35.96 2.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -90.54 -34.36 15.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 0.731 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.413 ' HB ' ' CB ' ' A' ' 10' ' ' PRO . 1.8 m -112.86 -35.07 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 11' ' ' PHE . 29.6 m -125.53 89.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -79.82 171.86 14.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -53.91 -26.59 25.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 26.8 tt0 -81.61 -62.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -43.29 -35.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 97' ' ' THR . 1.2 mt -65.75 -50.12 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -64.32 -18.97 65.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -70.21 -40.42 74.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 2.0 m -75.68 -32.07 59.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 21.8 m-85 -86.27 -21.42 27.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.08 -54.21 3.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.01 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 18.8 mt -64.97 92.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -88.55 -21.28 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.69 128.97 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -56.95 -40.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.005 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -47.56 -35.32 8.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 71.0 m-20 -70.1 -57.27 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -53.38 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.03 -37.4 74.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -56.63 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' A' ' 39' ' ' MET . 66.0 tp60 -55.7 -40.4 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -47.47 -48.42 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.4 mt -54.66 -37.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.408 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 2.5 mtt -73.6 -26.14 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -23.25 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.89 -46.16 9.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -45.69 -39.5 8.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -59.97 -47.79 84.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.37 131.61 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.57 31.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.767 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.23 113.15 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 51' ' ' LEU . 22.6 tp -67.83 123.37 86.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.94 41.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.61 -38.83 92.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.27 -42.6 81.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -74.12 -33.59 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.1 mtmt -55.95 -40.96 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.68 -17.35 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.7 17.05 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB3' ' C ' ' A' ' 67' ' ' LEU . . . -132.91 -171.35 2.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -119.79 149.17 42.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.8 117.8 24.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 3.4 mm -87.96 158.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.74 102.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.05 -33.5 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ASN . 42.2 m -74.52 176.37 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -38.49 -31.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.7 m-20 -164.41 177.37 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -53.14 143.33 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 12.5 t -139.41 129.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 17.6 m-90 -98.28 126.12 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' C ' ' HB3' ' A' ' 55' ' ' ALA . 6.8 tt -143.65 144.41 31.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.97 159.08 30.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -167.49 164.33 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -140.72 138.62 34.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 t -82.45 122.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -178.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -35.81 82.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.03 -29.41 23.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.07 -26.03 3.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.56 103.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mtp -85.48 156.11 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.41 118.14 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' HG21 ' A' ' 99' ' ' VAL . 25.1 m-85 -102.1 150.87 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 26.0 p90 -166.48 113.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -148.91 -148.24 4.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 65' ' ' VAL . 35.4 p-10 -163.89 -170.4 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -156.54 154.31 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -80.77 -37.13 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.4 176.23 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -88.58 -58.31 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.351 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.3 mm -45.42 -66.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.4 t -47.56 -36.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 1.7 ttt180 -54.97 -51.58 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.52 -50.74 53.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -45.62 -44.99 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.58 -58.82 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.567 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . . . -40.88 -64.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 116' ' ' PHE . 2.2 t -41.45 -51.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.29 -55.92 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mp -56.84 -30.35 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.543 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 17.8 m -75.7 -32.1 59.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -75.26 -32.63 61.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.498 HG21 ' CD1' ' A' ' 79' ' ' PHE . 35.0 m -92.31 32.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.33 99.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.94 45.47 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -94.76 162.69 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.6 p -101.78 155.02 18.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.57 -53.25 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -49.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -45.83 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 140' ' ' ILE . 9.7 mt -51.67 -41.18 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 34.2 mt-30 -73.23 -28.64 62.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.89 59.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.45 110.32 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -75.11 152.51 86.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.52 8.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.23 -25.12 61.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.41 -58.29 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.89 -61.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.565 ' CZ ' HD23 ' A' ' 91' ' ' LEU . 10.5 m-85 -44.83 -51.37 9.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.12 -52.72 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.51 -57.18 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.97 -31.09 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.92 37.66 5.98 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.9 mt -85.26 -68.53 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.81 -56.11 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.87 -59.1 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.9 mt -44.55 -58.93 2.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 140' ' ' ILE . 41.4 t -56.35 -51.58 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -41.4 -38.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.09 61.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' THR . 3.5 mt -75.23 -46.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.411 ' O ' ' OG1' ' A' ' 144' ' ' THR . 5.9 mm -53.13 -39.41 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.05 88.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.01 67.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 67.6 p -51.85 -40.74 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -58.01 -37.35 74.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.05 59.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.69 -56.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.7 mt -46.35 -46.67 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 80' ' ' PHE . 5.5 m80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -74.99 75.11 3.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 93' ' ' ALA . 56.2 m-85 -154.33 57.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.52 -29.48 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -99.16 -60.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -91.47 -45.64 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG1' HD13 ' A' ' 20' ' ' LEU . 7.5 t -87.5 97.12 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.6 OUTLIER -108.69 165.71 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB3' ' CG ' ' A' ' 115' ' ' LEU . . . -48.88 -25.06 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tt0 -76.61 -54.82 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -59.18 -37.94 78.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 15' ' ' VAL . 2.5 mt -65.85 -57.41 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -59.36 -18.9 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -30.14 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -85.73 -32.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 36.1 m-85 -85.42 -25.43 26.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -39.23 -54.18 3.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.98 -43.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -66.49 88.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.3 m -90.69 19.93 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -119.96 120.38 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -54.42 -39.5 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -52.91 -36.73 59.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -56.32 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 9.6 mttt -45.97 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.55 -31.95 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -62.28 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -22.63 42.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 121' ' ' LEU . 14.3 mt -58.99 -48.82 80.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mp -51.31 -35.65 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtt -75.5 -32.97 60.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD21 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -49.89 -32.16 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -41.79 91.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -47.04 -50.43 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -49.52 -35.58 20.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 HD12 ' CE2' ' A' ' 11' ' ' PHE . 3.7 tp -60.15 127.78 86.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.28 43.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.07 98.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.502 ' CD1' ' NE2' ' A' ' 9' ' ' HIS . 2.9 tp -61.43 128.48 89.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 138.15 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.68 -25.06 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -63.74 -42.76 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -29.29 61.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 9.0 mttt -58.91 -34.42 71.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.63 -14.71 60.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -90.85 -10.72 41.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 67' ' ' LEU . . . -104.47 -174.03 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -123.64 148.47 46.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.19 86.43 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt -65.5 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.98 169.86 11.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.44 -26.85 13.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.83 -176.36 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -49.02 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -155.53 -172.72 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG3' ' CH2' ' A' ' 66' ' ' TRP . 17.0 ptp180 -53.88 119.3 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' ILE . 40.1 t -115.25 130.04 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.528 ' CH2' ' HG3' ' A' ' 64' ' ' ARG . 22.7 m-90 -108.56 118.39 36.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' N ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 tt -135.03 144.98 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.5 157.42 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 25.7 p90 -159.45 151.18 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 77' ' ' MET . 3.3 p -146.89 146.4 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.09 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.76 -162.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.88 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.3 p-10 -73.88 -30.32 62.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.34 -12.42 6.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -44.04 108.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 70' ' ' THR . 44.8 mtp -81.97 143.24 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.574 ' O ' ' CE2' ' A' ' 80' ' ' PHE . 10.9 m170 -123.1 104.33 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 140' ' ' ILE . 84.5 m-85 -90.21 141.86 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 78' ' ' HIS . 2.6 p90 -166.35 132.67 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -160.16 -155.46 7.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.447 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 19.2 p-10 -174.42 115.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.754 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -86.0 171.48 11.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.04 -48.08 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.79 152.77 52.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -29.92 57.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.4 mm -68.6 -67.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -46.07 -43.51 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.01 -55.4 5.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.52 97.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -50.15 -48.4 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 4.8 mt -47.3 -43.51 22.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . . . -45.4 -70.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.556 HG13 ' CE2' ' A' ' 116' ' ' PHE . 21.0 t -43.25 -52.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.0 -58.79 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -57.73 -29.03 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 19.1 m -75.46 -33.86 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 112' ' ' PRO . . . -74.67 -32.55 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG23 ' CD1' ' A' ' 79' ' ' PHE . 30.7 m -96.26 32.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' GLY . 9.1 pt-20 -56.19 104.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 35.48 47.24 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -95.29 151.44 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 p -87.16 148.03 25.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.21 -53.63 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.25 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.91 -47.61 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 99' ' ' VAL . 20.1 mt -54.02 -45.07 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -63.01 -34.28 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.95 -14.4 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -115.21 -173.55 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -163.85 131.76 2.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -74.96 -27.14 10.34 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.24 -26.12 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.13 -54.4 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.24 -50.25 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CE2' HG13 ' A' ' 94' ' ' VAL . 48.7 m-85 -53.99 -55.28 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.11 -40.03 92.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -52.04 67.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.0 mt -73.8 -24.49 59.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 94.1 24.07 20.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 84.4 mt -83.02 2.98 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 116' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.27 -58.32 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.86 -61.84 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.8 mt -42.52 -59.09 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 t -51.55 -51.32 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -46.26 -34.99 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.46 -35.55 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.58 HD12 ' CE2' ' A' ' 79' ' ' PHE . 11.6 mm -75.15 -40.62 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.47 -54.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.53 -36.06 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.524 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.82 -48.22 47.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 52.0 p -62.83 -44.25 96.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -38.4 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -59.25 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.26 -57.28 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.61 -36.89 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 50.28 2.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -72.03 60.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.87 -34.53 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -97.9 -84.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.412 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 -48.48 54.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 t -89.35 79.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.04 168.34 11.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -58.72 -23.33 59.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 24.6 tt0 -82.05 -59.75 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.8 m -46.92 -33.71 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -54.37 40.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -60.4 -18.67 52.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -66.38 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -83.64 -29.85 27.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ALA . 28.1 m-85 -86.45 -24.39 25.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.86 -52.78 3.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 -32.33 5.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.1 88.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 m -84.32 -21.6 30.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.77 119.37 23.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -54.61 -29.65 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.37 -32.7 72.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.04 -56.59 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 10.5 mttt -46.75 -62.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.75 -31.65 49.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -23.1 37.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -58.29 -44.17 88.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.09 -32.91 51.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmt -75.26 -28.39 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -40.69 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.59 88.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.16 -45.72 53.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.85 -42.31 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.19 133.81 90.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.46 35.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.83 107.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 6.3 tp -63.81 133.84 95.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.93 152.48 41.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -60.58 -44.09 96.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.36 -29.69 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 10.1 mttt -58.57 -34.5 71.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.52 60.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -87.96 -17.37 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.71 -169.41 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.1 mtmm -114.01 150.05 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 133.17 34.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.415 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 7.7 mt -131.46 133.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.23 -170.67 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.77 -16.87 43.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.64 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -38.15 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' ARG . 26.0 m120 -157.15 178.04 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.64 150.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 92.6 t -145.27 145.51 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.8 m-90 -138.3 146.46 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -158.97 132.97 7.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -136.86 150.65 20.66 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 143' ' ' ALA . 44.2 p90 -156.28 174.11 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 9.2 p -158.57 146.37 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.476 ' CG2' ' HE3' ' A' ' 77' ' ' MET . 2.4 t -109.37 163.99 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.44 -171.9 3.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -51.81 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -63.98 -12.72 40.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.13 -12.83 52.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -48.1 156.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 84.9 mtp -150.53 140.34 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.42 104.18 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 140' ' ' ILE . 87.7 m-85 -74.87 147.45 41.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 31.4 p90 -157.39 123.05 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.6 -159.75 9.21 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -166.24 173.82 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -157.31 168.95 25.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -40.25 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.02 131.64 50.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.4 77.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 3.6 tp -81.7 -48.33 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 94.5 t -52.74 -46.31 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 3.3 ttt180 -45.02 -55.05 5.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.71 89.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.42 -41.9 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 89' ' ' ARG . 2.9 mt -59.96 -52.69 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 116' ' ' PHE . 2.1 t -47.98 -46.39 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.12 -58.96 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mt -52.79 -29.89 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.498 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 2.7 m -75.63 -28.15 58.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 112' ' ' PRO . . . -73.67 -31.33 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 107' ' ' LEU . 13.0 m -92.9 32.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 2.0 pt-20 -55.55 100.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 39.58 43.53 2.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -88.76 165.12 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.8 p -106.08 155.95 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.427 ' HA ' ' CG2' ' A' ' 144' ' ' THR . . . -45.07 -54.32 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.35 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -47.46 -52.48 16.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 99' ' ' VAL . 5.9 mt -49.43 -46.27 47.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.42 -33.82 76.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.01 -0.61 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 107' ' ' LEU . 1.1 tt0 -134.11 -173.19 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -163.97 128.56 1.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.99 -8.31 19.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 133' ' ' LEU . 14.8 mt -76.32 -28.2 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.07 96.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -50.47 -53.79 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 94' ' ' VAL . 21.6 m-85 -50.0 -53.75 24.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.53 -38.9 91.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -56.49 21.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 93.0 mt -64.43 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.22 30.88 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 95.8 mt -85.78 -102.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 2.3 ttt-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 113' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -43.54 -31.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.66 73.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 133' ' ' LEU . 3.5 mt -64.73 -38.69 91.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.3 t -62.19 -59.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.02 -27.46 32.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.4 90.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.562 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 33.8 mt -75.48 -36.29 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.53 -51.95 67.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.74 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' A' ' 69' ' ' TYR . . . -61.32 -61.6 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.427 ' CG2' ' HA ' ' A' ' 104' ' ' ALA . 12.9 p -51.77 -36.06 46.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -55.13 -30.87 60.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.42 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 71' ' ' VAL . 73.9 t -62.47 -53.62 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.7 -53.02 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 6.3 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -75.07 -79.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 93' ' ' ALA . 7.2 m-85 31.77 91.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.25 -42.1 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -65.75 -56.77 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -114.85 -28.99 6.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 97' ' ' THR . 16.1 m -111.93 90.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.47 164.91 12.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' CB ' ' CD1' ' A' ' 115' ' ' LEU . . . -49.1 -36.41 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 tt0 -71.02 -61.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 m -42.7 -38.47 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 1.4 mt -65.51 -51.66 58.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -21.01 64.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 m-20 -72.41 -34.2 67.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 85.2 m -77.4 -34.24 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 16.7 m-85 -85.85 -23.66 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -41.89 -53.62 7.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.09 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.8 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.32 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . 15.1 t -75.99 -25.2 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.421 ' N ' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -78.81 105.2 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -44.35 -42.22 6.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.37 -35.82 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -64.76 -57.09 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -42.78 -63.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.88 -30.9 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -62.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' OE1' ' CG2' ' A' ' 23' ' ' THR . 0.4 OUTLIER -56.41 -18.79 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.02 -38.53 91.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -65.16 -34.4 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.39 -43.99 92.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -45.47 -50.33 12.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.3 -53.42 13.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -38.55 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.86 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 138.99 89.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.47 38.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.03 106.45 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -54.73 127.37 60.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.03 167.83 26.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -43.94 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.0 pt-20 -51.75 -42.98 62.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -33.51 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 mtmt -55.51 -33.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.02 -21.58 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.03 -20.28 45.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.92 -168.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtmm -113.0 150.34 32.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.28 129.05 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' VAL . 8.0 mt -127.22 114.91 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.7 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.58 35.76 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.36 -171.24 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -174.5 -175.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -42.65 144.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' ILE . 96.2 t -138.46 129.5 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.589 ' CZ3' ' HG3' ' A' ' 64' ' ' ARG . 2.5 m-90 -117.78 139.54 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -158.27 134.11 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.39 151.27 21.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 70' ' ' THR . 30.3 p90 -154.21 160.88 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 20.4 p -157.47 156.37 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.62 140.36 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.28 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.02 69.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -25.02 23.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -22.24 24.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.75 107.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.96 157.52 33.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -140.83 104.15 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.596 ' CD1' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -84.55 149.49 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 21.5 p90 -165.5 117.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -150.79 -153.03 6.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -170.07 -171.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.01 145.17 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 25.34 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -113.6 176.6 17.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -90.42 -59.42 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 mm -78.98 -44.27 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.0 t -50.07 -37.6 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 92' ' ' LEU . 4.0 ttt180 -61.67 -37.49 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.44 -42.57 27.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CD2' ' CE1' ' A' ' 116' ' ' PHE . 5.6 mt -50.9 -49.47 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.524 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.32 -52.27 28.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.63 ' CB ' ' CE1' ' A' ' 11' ' ' PHE . . . -50.25 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 116' ' ' PHE . 2.2 t -39.74 -46.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.15 -56.45 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.524 ' CD1' ' HG ' ' A' ' 92' ' ' LEU . 1.3 mp -52.58 -30.63 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.8 m -75.03 -27.91 60.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.6 64.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' A' ' 79' ' ' PHE . 17.6 m -95.24 31.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.09 82.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -144.73 159.36 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.9 p -87.11 147.06 25.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.09 -56.01 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.23 -49.43 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -48.23 68.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 99' ' ' VAL . 42.5 mt -54.64 -44.47 73.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -61.44 -34.98 76.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.41 -21.44 59.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.96 103.43 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.41 151.93 94.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -80.41 -22.73 40.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.78 84.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.501 ' CD1' ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.71 -60.16 4.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.585 ' CE1' ' CD2' ' A' ' 91' ' ' LEU . 33.1 m-85 -48.09 -44.11 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.89 -43.63 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -60.8 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.48 -30.0 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.24 41.81 7.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' A' ' 94' ' ' VAL . 21.3 mt -85.25 -45.66 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 1.5 tmm_? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.432 ' N ' ' HG ' ' A' ' 133' ' ' LEU . 5.4 p30 -50.03 -33.14 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -63.17 -35.82 81.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 133' ' ' LEU . 9.5 mt -73.78 -35.93 65.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -56.99 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -49.83 -30.2 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.11 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.57 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 36.2 mt -75.05 -41.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 mm -56.08 -52.14 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.19 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -67.87 -56.18 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.466 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 32.5 p -56.53 -41.56 76.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -33.14 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -49.05 22.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.43 -47.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.22 -25.29 66.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -69.92 80.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 100' ' ' GLU . . . 176.26 -63.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -108.63 -64.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.6 m -60.34 -40.78 91.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 10' ' ' PRO . 71.6 t -121.49 70.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -89.21 170.66 10.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 115' ' ' LEU . . . -57.1 -30.99 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.7 tp10 -74.91 -60.11 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.5 m -45.24 -42.81 9.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.4 -35.91 82.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -64.3 -21.1 66.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.78 -36.11 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.24 -35.22 68.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE1' ' CD ' ' A' ' 36' ' ' GLN . 76.7 m-85 -86.14 -22.06 27.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.03 -54.55 3.22 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.94 -37.86 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.78 86.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.3 t -84.33 -24.78 29.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.91 118.29 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.453 ' CH2' ' CE2' ' A' ' 34' ' ' TYR . 18.0 t90 -47.75 -43.31 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -41.48 -30.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 5.8 mttt -46.3 -51.32 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CE2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -62.05 -33.26 74.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.49 -60.9 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.583 ' CD ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -55.06 -31.89 61.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 7.3 mt -52.87 -24.58 9.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.43 HG23 ' CB ' ' A' ' 86' ' ' ARG . 47.0 mt -75.24 -51.05 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 1.8 ptm -54.06 -28.19 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HG2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -45.24 -60.22 2.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.32 -56.66 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -49.97 -32.93 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -46.17 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.83 149.2 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.97 35.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.62 108.33 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 48' ' ' PRO . 12.5 tp -66.43 134.15 94.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 18.2 Cg_endo -74.99 153.54 41.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -31.63 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -44.82 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CB ' HD11 ' A' ' 47' ' ' LEU . 1.2 mm? -72.19 -32.94 67.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -53.1 -36.02 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.0 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.74 -25.53 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.8 -169.9 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 1.1 mtmm -120.73 146.02 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -80.88 122.64 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -92.28 175.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.54 67.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.93 29.11 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.89 -178.63 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -25.4 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.96 -168.15 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -59.51 153.49 19.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 t -147.98 164.18 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 31.5 m-90 -135.75 141.19 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.12 133.98 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -141.8 140.62 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 23.1 p90 -153.84 164.73 37.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.8 p -150.31 137.8 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 72' ' ' ALA . 57.7 t -91.15 145.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 71' ' ' VAL . . . -92.79 172.97 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -10.39 32.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -32.36 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.45 -25.99 3.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -44.56 163.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.37 157.81 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -143.69 105.67 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CD1' HG23 ' A' ' 99' ' ' VAL . 81.7 m-85 -82.23 154.46 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE1' ' HA3' ' A' ' 68' ' ' GLY . 8.9 p90 -161.03 119.79 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -139.47 -170.31 11.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.464 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -173.63 107.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.472 ' CB ' HG11 ' A' ' 88' ' ' VAL . 29.8 t -83.35 171.23 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -82.83 -38.52 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.92 161.08 54.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -87.8 -31.66 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 0.708 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -73.95 -49.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 83' ' ' SER . 43.5 t -58.68 -52.38 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -43.6 -36.56 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.27 -49.04 28.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 mt -48.69 -53.46 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.26 -46.06 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -45.94 -70.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 t -42.37 -44.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ALA . 10.3 tt -60.81 -56.52 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 2.7 mt -50.31 -30.34 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 2.8 m -76.07 -28.06 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -74.56 -30.3 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 HG13 ' CD2' ' A' ' 107' ' ' LEU . 5.6 m -92.27 31.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' CG ' ' HA2' ' A' ' 12' ' ' GLY . 5.5 tm-20 -55.47 103.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 40.06 36.62 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.92 159.33 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.2 p -100.35 153.38 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.96 -54.8 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.74 -55.6 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -50.17 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.479 ' CD2' HG13 ' A' ' 99' ' ' VAL . 5.5 mt -52.16 -48.91 64.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.91 -34.62 73.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.02 -20.9 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -163.77 118.66 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -68.39 145.65 97.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 18.5 Cg_endo -74.98 0.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.66 -21.27 61.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -59.0 -48.36 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.67 -50.7 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 122' ' ' ARG . 91.2 m-85 -58.6 -62.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.94 -31.86 42.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -50.97 69.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 30.4 mt -75.52 -26.17 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.66 23.97 6.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.1 mt -86.27 -48.57 8.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HB2' ' CB ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.55 -50.79 19.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.9 -50.5 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.52 -51.98 67.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.1 t -54.91 -49.0 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.79 -37.08 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.85 68.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 107' ' ' LEU . 37.9 mt -72.65 -46.47 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.7 mm -50.56 -49.03 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.25 87.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -59.38 -59.77 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 53.4 p -52.56 -45.96 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -45.53 -33.41 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -62.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.72 -47.04 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.77 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 m170 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.16 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 93' ' ' ALA . 25.8 m-85 -71.74 80.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 -37.51 1.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m -78.67 -82.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -95.66 -6.27 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.15 71.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 17' ' ' ALA . 5.3 t -101.83 -169.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.568 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -58.05 -31.83 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 21' ' ' ARG . 19.5 tt0 -70.01 -61.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.3 m -55.47 -40.92 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 97' ' ' THR . 9.1 mt -65.63 -29.34 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 18' ' ' GLU . 8.3 mtm105 -74.55 -19.31 60.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.83 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -71.62 -38.05 70.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.547 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.8 m-85 -87.04 -19.18 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.497 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.97 -52.7 3.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 -40.16 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.29 82.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -28.83 59.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -73.13 129.79 38.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.68 ' O ' ' CE3' ' A' ' 30' ' ' TRP . 1.8 t-105 -71.53 -31.59 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.98 -12.44 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.06 -58.0 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -51.78 -49.25 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.81 -36.76 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -58.2 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -24.11 49.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 121' ' ' LEU . 12.6 mt -54.33 -31.91 55.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.71 -30.4 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttm -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -40.59 -50.08 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.25 -55.42 21.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -42.96 -41.85 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.32 -46.18 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 141.02 81.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.51 38.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.39 100.67 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 114.45 8.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.6 42.64 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -46.08 -35.4 4.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.0 tp10 -53.87 -53.15 56.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -74.88 -33.92 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.521 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 6.0 mttt -63.33 -33.79 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.99 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -83.24 -5.75 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.95 179.39 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.3 153.07 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 136.97 33.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' VAL . 19.3 mt -136.43 139.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.33 40.05 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -135.89 -47.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 1.4 mt-10 176.07 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.41 ' CG ' ' OE2' ' A' ' 84' ' ' GLU . 40.5 m-80 -155.66 -173.32 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -49.63 141.37 9.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 64' ' ' ARG . 54.1 t -143.85 118.31 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 19.9 m-90 -110.91 132.17 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.62 134.94 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -135.16 149.0 19.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.0 p90 -166.11 165.24 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 6.1 p -159.11 142.28 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 73.9 t -84.27 136.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.83 169.42 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -65.14 -11.38 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -16.03 15.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.67 -38.01 3.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.496 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -83.65 162.68 20.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -137.68 103.91 5.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 53.9 m-85 -90.86 148.64 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 53.1 p90 -165.41 175.48 9.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 155.37 -157.08 27.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 8.4 p-10 -164.86 177.83 7.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.435 ' CB ' HG11 ' A' ' 88' ' ' VAL . 2.0 t -155.13 158.14 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -83.37 -30.89 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.13 48.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -83.31 -51.17 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.2 mm -65.29 -53.6 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 83' ' ' SER . 78.1 t -50.37 -44.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -47.39 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.17 -46.09 52.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 116' ' ' PHE . 13.1 mt -47.45 -27.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 98.0 mt -65.21 -59.93 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.506 ' CB ' ' CD1' ' A' ' 40' ' ' LEU . . . -39.65 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.596 HG12 ' CZ ' ' A' ' 116' ' ' PHE . 24.2 t -42.43 -42.7 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -61.24 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 1.7 mm? -53.38 -29.5 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.568 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.17 -35.25 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.3 99.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 107' ' ' LEU . 16.9 m -90.59 33.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.39 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.55 80.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -144.19 157.12 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -77.38 146.44 36.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.56 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.52 -55.32 33.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.02 -44.47 30.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 99' ' ' VAL . 78.9 mt -53.94 -47.02 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.34 -17.64 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.32 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 107' ' ' LEU . 7.7 tt0 -137.78 119.63 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.7 m -65.97 127.75 93.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.18 15.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.66 -22.26 65.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.374 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -54.28 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.15 -57.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.596 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 95.8 m-85 -50.64 -58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.22 -40.6 71.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.11 55.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.11 -1.04 24.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.617 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . . . 50.18 33.19 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.595 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 7.6 mt -79.31 3.32 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.43 ' CG ' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -64.15 -54.35 35.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.16 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 30.0 t -62.72 -48.77 77.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.59 -38.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.74 82.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 26.4 mt -72.62 -37.11 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 -54.22 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.04 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.1 -58.14 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.0 p -55.77 -42.8 76.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -37.04 63.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -42.44 56.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.63 -36.47 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.85 -28.17 63.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -174.51 174.12 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -158.36 108.77 1.68 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.69 35.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -147.13 134.85 21.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -146.9 176.59 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.8 75.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.73 48.31 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 2.1 p-80 -75.45 157.02 84.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' CG ' HG21 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.02 -85.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 9' ' ' HIS . 2.7 m-85 33.53 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.16 -55.77 1.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -51.07 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -117.87 -11.65 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG21 ' CG ' ' A' ' 10' ' ' PRO . 54.6 t -116.44 70.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.52 154.32 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . . . -46.9 -29.12 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' ARG . 12.9 tp10 -74.39 -57.57 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -47.1 -40.31 15.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.27 -36.37 83.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 119' ' ' LEU . 0.7 OUTLIER -70.37 -29.72 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.8 m -77.58 -41.0 40.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 20.5 m-85 -86.12 -20.35 28.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.64 -55.36 3.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.8 mt -72.52 91.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 t -88.58 -20.71 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.5 125.66 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -53.44 -41.39 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -44.1 -39.56 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.91 -54.97 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -47.77 -56.01 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -30.25 69.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.23 -61.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 -34.03 66.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 121' ' ' LEU . 12.7 mt -52.11 -42.05 62.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -56.84 -45.83 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.4 mtt -65.4 -28.66 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -38.84 71.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.67 -50.75 46.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.36 -45.09 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.29 -44.98 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.44 144.26 72.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.14 40.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.46 115.75 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 tp -66.38 114.58 17.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.13 27.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.36 -42.76 96.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.4 tp10 -50.34 -44.03 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -35.08 64.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -54.45 -36.6 64.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.0 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.27 -19.53 53.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.95 176.68 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.19 151.56 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 135.87 33.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' VAL . 2.9 mt -133.31 108.97 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.7 42.51 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.72 34.4 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -141.57 -175.6 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -42.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -158.31 -175.14 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.68 147.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 58' ' ' ILE . 25.4 t -148.76 123.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -115.66 133.72 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.7 142.48 22.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.06 150.7 21.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.19 173.12 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -154.45 139.37 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.402 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 147' ' ' VAL . 1.4 t -81.27 129.65 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.05 -170.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.06 -48.01 80.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -79.61 -28.17 41.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 129.8 -17.14 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 9.1 mtp -79.16 150.54 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.88 111.48 14.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.54 149.01 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 46.1 p90 -165.56 123.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.47 -159.36 12.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -168.57 -175.32 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.4 t -158.47 163.37 37.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.04 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.4 110.44 3.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.83 -49.68 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 5.6 tp -50.1 -57.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.419 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 84.3 t -56.05 -46.8 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -50.71 30.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.24 94.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mt -47.24 -46.5 24.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.3 mt -48.36 -51.77 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.56 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . . . -40.81 -66.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.73 -46.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 96' ' ' LEU . 10.2 tt -59.88 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.503 HD23 ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.07 -30.69 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 15' ' ' VAL . 96.1 m -74.94 -43.53 53.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -62.14 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 107' ' ' LEU . 30.5 m -99.46 28.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.15 47.86 10.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 10.5 mttm -94.83 157.9 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ALA . 61.9 p -97.37 148.77 22.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' THR . . . -39.41 -56.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.66 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -54.01 4.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 140' ' ' ILE . 1.7 mt -47.29 -52.61 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.0 -29.17 70.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.04 -17.78 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -162.53 115.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.6 m -66.59 148.74 98.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -4.33 15.23 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.75 -17.71 59.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.85 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -53.01 -56.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 121' ' ' LEU . 30.1 m-85 -47.42 -48.41 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -67.55 -48.33 67.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -51.81 56.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 60.5 mt -75.49 -23.06 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.49 25.67 49.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 37' ' ' LEU . 33.1 mt -85.52 10.15 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 133' ' ' LEU . 0.2 OUTLIER -153.93 -44.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -44.16 -27.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -88.24 -38.95 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 122' ' ' ARG . 0.6 OUTLIER -45.81 130.74 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 151.35 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.04 -56.63 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.58 -66.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -52.1 -39.93 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -36.85 30.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.51 -31.63 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.59 -61.21 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -43.62 -43.5 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.3 -56.87 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.55 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 mt -48.81 -59.08 3.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.7 t -52.2 -51.31 58.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -36.09 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.49 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 143' ' ' ALA . 4.4 mt -73.86 -57.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.0 mm -42.72 -42.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' ILE . . . -66.58 -53.62 32.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 42.3 p -50.06 -34.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -63.33 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -48.8 21.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 71' ' ' VAL . 54.7 t -62.23 -42.63 96.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.401 HD21 ' N ' ' A' ' 148' ' ' LEU . 0.1 OUTLIER -58.78 -52.15 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.182 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.492 0.186 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p -105.42 -173.35 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.29 127.52 5.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.63 23.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.2 134.79 20.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -140.43 166.8 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 -50.68 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 118.16 -53.12 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 3.7 p80 51.01 91.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -74.98 -35.79 2.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 3.0 p90 -53.79 88.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 159.56 -65.1 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -88.4 -70.65 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -70.72 -35.88 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.01 76.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -90.98 156.89 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -48.07 -25.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -83.73 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -44.4 -31.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.51 -51.94 56.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -67.7 -18.34 64.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.3 t30 -73.31 -30.96 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -85.04 -33.55 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.34 -24.26 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.493 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.45 -53.36 4.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 -40.85 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.49 87.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -82.12 -22.85 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 31' ' ' GLU . 2.5 mt-30 -78.86 104.81 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CZ2' ' HB3' ' A' ' 123' ' ' ALA . 3.3 t90 -43.71 -31.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -51.86 -43.69 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' ARG . 34.5 m-20 -64.79 -55.39 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -56.1 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CE1' HD11 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -62.03 -27.01 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -74.72 -64.46 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -31.5 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.09 -36.62 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 86' ' ' ARG . 61.9 mt -67.31 -36.49 76.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -30.0 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -74.82 -44.6 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -55.71 -38.33 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.91 -45.82 91.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.91 144.63 74.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 163.98 34.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.13 116.95 15.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 52' ' ' LYS . 26.9 tp -70.3 114.52 26.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 156.89 42.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.94 -44.86 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 5.0 tp10 -49.29 -46.48 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.67 -37.73 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -56.31 -37.84 70.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.34 -19.51 61.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -84.84 -13.96 49.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.9 -173.18 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.03 150.96 38.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -84.77 120.86 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 2.9 mm -86.75 154.16 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.63 101.02 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.96 -25.11 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -176.48 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 18.5 tp10 -53.72 -20.06 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 62' ' ' GLU . 3.6 m-80 -170.23 -174.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 17.9 ptp180 -65.63 118.23 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 6.0 t -116.46 139.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.43 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 28.2 m-90 -107.4 135.22 49.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.7 tt -144.9 141.87 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.62 140.26 9.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.52 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 7.2 p90 -145.9 161.2 40.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 7.1 p -156.65 177.0 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.29 139.19 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.23 -170.02 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.39 -28.94 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -94.51 -24.08 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 112.44 -19.37 22.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.6 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -71.52 154.21 41.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -137.14 104.39 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.579 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CD1' HG21 ' A' ' 99' ' ' VAL . 64.5 m-85 -88.23 146.76 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -164.85 125.78 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -155.93 -148.06 4.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -168.8 -168.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.784 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 t -164.06 158.45 19.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 1.2 pp20? -85.02 -21.19 29.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.79 118.16 5.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.82 -54.32 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 34' ' ' TYR . 6.2 tp -46.43 -61.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.2 t -55.57 -42.82 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HD3' ' CA ' ' A' ' 41' ' ' GLY . 4.8 ttt180 -52.52 -31.84 37.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.27 -47.22 7.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.548 HD21 ' CE1' ' A' ' 116' ' ' PHE . 18.9 mt -49.97 -45.83 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.2 -52.37 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.03 -54.16 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.19 -39.03 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.36 -56.03 14.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . 2.0 mp -55.02 -28.78 54.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.5 m -69.98 -26.43 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.6 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.566 HG21 ' CD1' ' A' ' 79' ' ' PHE . 19.6 m -99.55 31.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 1.1 tm-20 -55.59 95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.01 78.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.49 163.84 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -80.31 146.58 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.94 -56.98 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.03 -54.09 14.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -38.59 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 140' ' ' ILE . 5.9 mt -62.86 -41.78 99.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -71.59 -24.8 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.32 -26.96 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -115.21 113.36 23.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 m -65.51 115.78 25.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -16.9 20.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.38 -36.12 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.48 -36.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -56.44 21.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.548 ' CE1' HD21 ' A' ' 91' ' ' LEU . 16.7 m-85 -49.61 -48.96 48.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.08 -43.48 87.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -48.2 82.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.1 mt -74.76 -31.14 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 79.12 40.78 15.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.68 -59.04 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.457 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -86.55 21.63 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.493 ' HB3' ' CZ2' ' A' ' 30' ' ' TRP . . . -62.52 -24.16 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -15.99 50.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -44.68 125.21 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.474 ' O ' ' CD1' ' A' ' 125' ' ' LEU . 0.6 OUTLIER -65.2 -177.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.6 t -84.42 -47.17 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -46.99 -29.49 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.432 ' CB ' HD11 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -63.29 -37.87 88.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.424 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -59.41 -22.42 61.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -85.14 -28.54 30.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HG ' ' NH1' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -64.74 -52.03 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 8.6 p30 -57.92 -34.93 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -59.25 -43.49 92.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.38 -44.05 97.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.3 OUTLIER -64.2 -50.27 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.9 mm-40 -41.92 -37.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.15 71.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 33.5 mt -75.0 -45.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 141' ' ' ILE . 3.6 mm -55.1 -44.77 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.49 79.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.52 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.23 -43.61 66.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.5 p -64.83 -49.66 69.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -46.45 -35.17 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -56.55 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.77 -49.78 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.95 -56.4 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.507 0.194 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.1 m -105.26 157.77 17.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -89.49 142.4 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -170.96 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -146.54 -166.68 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.85 -179.17 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -123.17 174.86 6.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.96 -175.31 14.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 17.8 p80 -177.98 134.5 0.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 9' ' ' HIS . 18.2 Cg_endo -75.02 -15.44 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 2.7 m-30 -67.19 76.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.37 -60.04 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.5 m -90.3 -76.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -61.13 -44.63 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 20' ' ' LEU . 23.5 t -109.17 79.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -88.51 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.555 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -61.44 -29.79 70.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.4 tt0 -75.6 -60.56 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -46.05 -39.0 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 15' ' ' VAL . 11.3 mt -65.16 -39.63 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -61.53 -19.58 62.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -79.77 -33.24 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -85.85 -21.96 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -41.41 -55.08 5.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 -42.11 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 48.3 mt -68.69 87.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -87.62 -23.65 24.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.79 123.65 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.96 -40.07 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.34 -45.99 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 82.3 m-20 -65.04 -55.88 16.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -43.52 -55.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' CD1' ' A' ' 87' ' ' ILE . 0.5 OUTLIER -60.23 -36.34 77.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -55.09 -34.18 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.13 -41.64 65.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.57 -40.8 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.62 -41.19 92.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -42.05 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -69.33 -49.41 39.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -43.11 -39.99 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -57.7 -44.92 86.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 11' ' ' PHE . 16.1 tp -51.94 136.48 37.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 149.83 37.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 102.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.94 112.83 4.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.42 -22.48 66.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -65.72 -52.32 52.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -73.33 -31.71 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -57.62 -33.57 68.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.49 -20.67 58.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -85.74 -17.41 35.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.03 179.91 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.21 150.94 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.74 134.48 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 59' ' ' ALA . 22.1 mt -137.01 137.65 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 58' ' ' ILE . . . -137.83 101.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 135' ' ' ALA . . . 169.95 40.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -134.53 -53.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER 167.72 -31.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -147.22 173.9 12.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -41.9 150.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.22 138.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 11.2 m-90 -136.79 98.28 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -97.82 138.26 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -147.05 141.62 9.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -160.02 164.14 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -147.12 141.56 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 138.39 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.56 -177.32 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -64.86 -50.13 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -68.66 -26.26 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.29 -24.53 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.09 106.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.555 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -85.87 163.14 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.45 104.18 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 109.588 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 140' ' ' ILE . 65.7 m-85 -85.08 155.3 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 1.3 p90 -166.53 163.87 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 162.4 -160.15 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 18.5 p-10 -164.36 -173.75 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -169.73 159.88 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -38.34 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -59.58 123.28 32.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -59.23 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 34' ' ' TYR . 4.4 tp -61.95 -50.23 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.2 t -52.24 -32.88 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.9 ttt-85 -63.79 -59.83 4.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.21 91.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.25 -35.76 72.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 82' ' ' ASP . 2.9 tp -65.08 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.447 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.89 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 116' ' ' PHE . 2.6 t -41.02 -39.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 140' ' ' ILE . 9.6 tt -60.63 -56.25 23.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 7.0 mp -53.09 -29.16 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 96.9 m -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.12 69.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 107' ' ' LEU . 30.2 m -94.7 31.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.3 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 49.67 76.87 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -144.74 156.81 44.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.4 p -83.26 146.42 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB2' ' CB ' ' A' ' 144' ' ' THR . . . -41.31 -50.54 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.63 -67.47 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -48.07 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.478 ' CD1' ' CE1' ' A' ' 79' ' ' PHE . 43.3 mt -51.76 -44.98 63.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.07 -24.02 58.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -149.37 117.36 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.0 p -60.23 135.93 91.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -13.51 21.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 133' ' ' LEU . 17.8 mt -67.74 -32.1 72.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.89 -52.07 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -51.79 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 94' ' ' VAL . 79.0 m-85 -45.22 -49.07 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.28 -37.15 84.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -43.98 92.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.426 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 53.2 mt -74.68 -22.36 58.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.49 36.36 6.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.8 mt -85.07 -55.92 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 133' ' ' LEU . 2.4 tmm_? -86.73 33.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.7 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.79 21.08 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.409 HD21 ' CB ' ' A' ' 129' ' ' ARG . 4.2 mt -44.9 110.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 65.8 m -39.7 149.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.89 -64.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -55.95 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.409 ' CB ' HD21 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -58.31 -48.46 80.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -50.64 -46.66 58.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -53.54 -23.61 11.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.88 -55.66 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.473 HD22 ' CD2' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.83 -45.22 63.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.12 -37.98 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 60' ' ' GLY . . . -58.04 -53.95 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 95' ' ' LEU . 7.9 mt -62.98 -36.97 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.4 t -60.48 -57.32 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.58 -26.75 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.13 -49.66 75.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.572 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 76.9 mt -63.89 -44.65 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.409 ' O ' ' OG1' ' A' ' 144' ' ' THR . 9.7 mm -54.06 -59.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.93 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.17 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 35.7 p -59.27 -44.53 92.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.93 -36.02 26.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.03 -36.47 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.05 -53.08 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.6 mt -50.09 -52.39 35.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.541 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -126.27 157.98 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.382 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -109.23 137.93 20.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.8 6.8 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.25 122.31 12.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.49 174.76 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' HB3' ' CD1' ' A' ' 51' ' ' LEU . . . -91.62 138.5 31.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.63 99.49 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 27.2 p-80 -92.27 114.35 61.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.38 20.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.0 m-30 -70.7 83.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.78 -54.59 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -101.34 -70.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.731 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -66.01 -49.91 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 20' ' ' LEU . 36.1 t -98.2 102.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.68 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -64.07 -34.33 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.55 -61.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.5 m -47.59 -43.78 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD21 ' CG1' ' A' ' 15' ' ' VAL . 41.9 mt -64.96 -36.77 85.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -65.19 -32.37 74.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 m -83.97 -32.78 24.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 53.5 m-85 -86.58 -19.61 29.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.75 -54.42 3.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 mt -71.76 93.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -94.53 -20.46 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -88.55 131.06 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 124' ' ' GLN . 8.1 t90 -55.39 -46.07 76.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.985 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -39.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.65 -52.39 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 mttt -48.84 -56.51 8.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -58.0 -28.09 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.66 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -26.82 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.87 -35.56 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.32 -36.09 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.9 mtt -67.56 -44.04 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -43.09 -49.93 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -59.6 -60.29 9.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 13.8 mttm -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.9 -47.56 52.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.551 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 7.9 tp -54.21 136.89 59.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.95 157.16 43.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.44 106.42 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.78 108.67 1.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -65.55 -26.22 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.3 tp10 -62.51 -51.38 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -74.22 -32.21 62.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' CD1' ' A' ' 66' ' ' TRP . 2.2 mtmt -60.11 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.67 -23.68 56.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.6 mp0 -92.98 15.0 15.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.43 175.3 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 3.0 mtmm -109.21 149.12 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -81.62 128.99 34.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.91 101.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.56 38.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.14 -4.49 27.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -97.6 -178.93 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -46.34 -32.69 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -153.87 -165.86 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -54.02 151.64 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 63' ' ' ASN . 70.6 t -152.8 125.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 19.8 m-90 -118.47 98.6 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.6 137.66 43.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.2 142.39 11.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 7.8 p90 -150.97 174.3 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.2 p -154.15 150.15 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.44 163.33 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.14 178.35 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.42 -52.21 48.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.43 -24.17 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -20.9 46.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.24 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.607 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -80.2 158.85 26.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.77 104.23 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.607 ' CZ ' ' SD ' ' A' ' 77' ' ' MET . 77.2 m-85 -84.75 151.04 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 26.8 p90 -165.59 118.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 66' ' ' TRP . . . -156.01 -160.42 9.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -164.2 -175.07 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -164.83 158.68 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.72 -45.54 24.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -46.44 163.89 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -88.84 -56.3 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 34' ' ' TYR . 1.9 tp -70.51 -51.09 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 97.2 t -46.95 -36.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -58.19 -58.28 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.79 -47.4 91.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -47.4 -45.39 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.36 -38.35 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.513 ' HB2' ' CG ' ' A' ' 11' ' ' PHE . . . -58.79 -65.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 116' ' ' PHE . 2.0 t -39.15 -41.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 9.1 tt -59.44 -55.76 30.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 6.1 mp -54.6 -29.29 51.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER -72.54 -29.07 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.8 -37.13 65.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.578 HG23 ' CD1' ' A' ' 79' ' ' PHE . 19.4 m -96.49 32.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 96.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 44.26 78.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -144.6 163.48 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -85.66 146.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.57 -50.15 7.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.53 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -51.45 54.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.466 HD11 ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -49.32 -42.29 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 141' ' ' ILE . 4.8 mt-30 -72.44 -27.86 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.0 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.14 110.43 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -65.81 135.97 95.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.4 mt -75.31 -24.23 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.26 -53.5 55.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.486 ' CD1' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.36 -61.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.509 ' CE1' HG11 ' A' ' 94' ' ' VAL . 95.0 m-85 -46.22 -55.92 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.24 -34.5 70.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -52.4 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.39 -28.7 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.98 42.9 7.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.448 ' O ' ' NE1' ' A' ' 30' ' ' TRP . 14.9 mt -84.67 -57.03 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 125' ' ' LEU . 0.5 OUTLIER -86.8 29.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -20.86 42.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 1.7 tp60 -98.67 28.82 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 122' ' ' ARG . 5.9 mt -47.98 175.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.417 ' N ' ' HB2' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -164.78 163.1 21.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.5 -60.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -47.67 61.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 126' ' ' SER . 2.0 mtt-85 -46.71 -53.35 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.33 -53.54 17.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.84 -44.48 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.37 -51.88 51.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -43.52 96.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.19 -44.8 79.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -51.8 -43.04 62.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.1 mt -68.9 -38.69 79.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 t -66.27 -59.79 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.2 pt-20 -49.7 -29.82 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.45 86.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.579 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 38.5 mt -74.69 -35.02 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 108' ' ' GLN . 24.6 mm -63.64 -48.45 86.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.61 -50.86 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 80.5 p -56.72 -43.8 80.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.62 -33.13 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -57.85 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.74 -54.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -46.16 -53.66 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.2 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.504 0.192 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -168.78 159.31 9.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -114.95 106.4 51.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 82.22 2.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -134.09 106.24 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -162.37 175.18 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.42 133.26 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.78 -82.67 1.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 44' ' ' LEU . 57.6 m-70 66.33 119.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.42 21.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 18.2 m-30 -72.06 95.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.77 -31.71 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -89.85 -76.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -38.97 72.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 11' ' ' PHE . 29.3 m -110.67 119.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.7 OUTLIER -123.61 170.01 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 115' ' ' LEU . . . -47.92 -26.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 1.9 tt0 -76.88 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -57.18 -36.38 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' A' ' 97' ' ' THR . 0.5 OUTLIER -61.05 -56.94 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 119' ' ' LEU . 10.7 ptp180 -62.14 -17.83 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -32.41 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -85.21 -34.63 21.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m-85 -84.8 -27.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -38.62 -54.95 2.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.98 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt -64.33 86.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -81.52 -25.05 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASP . 4.6 mt-30 -75.57 110.22 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -46.17 -31.87 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.1 70.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ARG . 33.7 m-20 -66.17 -57.16 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 6.6 mttt -44.89 -60.04 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.418 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -57.28 -21.86 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.63 -67.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -29.59 56.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mt -51.26 -51.42 54.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 34' ' ' TYR . 2.3 mp -49.41 -39.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -26.73 60.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -24.47 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 -45.77 6.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -47.27 -46.93 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.03 -47.78 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 9' ' ' HIS . 20.5 tp -54.28 138.5 57.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.99 156.09 42.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.25 100.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.85 114.01 13.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.02 146.02 32.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.33 -33.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.2 tp10 -54.99 -46.31 75.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -72.93 -42.1 63.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -53.29 -36.68 61.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.42 -22.81 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.25 -19.19 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.49 -178.15 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -99.83 144.36 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 7.2 tp10 -82.59 126.09 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' VAL . 5.0 mt -124.02 137.95 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 41.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.76 44.95 1.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 -178.12 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -38.93 -39.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . 19.0 m-20 -157.46 179.72 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.14 147.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' ILE . 75.1 t -144.6 148.96 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.548 ' CE2' ' OE1' ' A' ' 57' ' ' GLU . 9.2 m-90 -143.22 136.3 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.96 138.02 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.17 138.19 7.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.461 ' O ' ' CG2' ' A' ' 70' ' ' THR . 41.1 p90 -153.54 171.71 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 3.1 p -158.09 140.39 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.7 t -90.16 127.29 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.22 -170.25 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.82 -49.99 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -66.37 -30.95 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.78 -26.55 7.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 104.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.6 mtp -83.3 154.66 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -134.58 109.43 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -92.99 148.59 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.68 112.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.62 -153.37 5.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 5.1 p-10 -166.14 -176.6 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -171.32 163.54 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.05 -41.93 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.26 112.67 5.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -41.51 26.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -67.54 -39.76 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.1 t -67.06 -54.5 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -47.17 -42.54 19.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.57 -45.53 45.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.522 HD23 ' CE1' ' A' ' 116' ' ' PHE . 6.8 mt -50.19 -49.72 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.67 -47.17 20.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.534 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -41.93 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.579 HG13 ' CE2' ' A' ' 116' ' ' PHE . 2.5 t -45.84 -48.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tt -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 mp -52.4 -28.71 20.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 3.0 m -75.75 -38.01 58.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.21 71.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 107' ' ' LEU . 5.3 m -94.41 33.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.27 45.84 21.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -94.39 168.46 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 154.03 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 144' ' ' THR . . . -46.42 -52.31 13.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.9 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.6 -46.35 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 99' ' ' VAL . 8.9 mt -53.8 -53.17 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -62.98 -26.89 69.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.28 45.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -151.49 111.64 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.5 m -71.88 150.38 92.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.74 12.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.37 -25.66 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -61.29 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.469 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -40.89 -58.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.579 ' CE2' HG13 ' A' ' 94' ' ' VAL . 88.8 m-85 -48.91 -58.24 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.29 -41.9 76.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.16 81.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 73.5 mt -75.41 -13.95 60.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.31 16.24 64.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 116' ' ' PHE . 52.9 mt -82.88 -2.37 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 0.6 OUTLIER -154.12 30.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.24 -61.34 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.26 24.59 10.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.432 ' CD1' HD12 ' A' ' 133' ' ' LEU . 2.5 mt -44.37 124.6 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -39.57 142.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.33 -56.17 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -46.64 -42.76 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -74.59 -41.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -55.21 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.37 -22.84 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.16 -57.52 3.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -49.04 -32.26 9.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.64 -58.57 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.22 -56.31 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 mt -47.38 -53.9 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.0 t -59.13 -51.46 69.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.48 -36.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.37 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 137' ' ' SER . 15.2 mt -75.44 -38.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.8 mm -55.04 -50.54 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.01 82.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.46 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -61.12 -60.13 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 104' ' ' ALA . 20.1 p -51.34 -43.55 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -49.35 -36.63 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -45.3 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.92 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -42.5 -49.72 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.499 0.19 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m 58.81 104.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -171.82 123.06 0.5 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.57 38.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -147.25 128.11 14.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -157.2 178.59 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -32.84 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 104.43 -40.35 2.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 5.7 p80 50.49 85.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.562 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 6.6 p90 -54.8 120.9 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.59 -49.43 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -108.08 -76.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 -30.26 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 5.8 t -122.66 72.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.66 155.58 19.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -45.89 -31.44 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' ASN . 1.1 tt0 -72.46 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.0 m -43.14 -39.08 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -49.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.528 ' CB ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -70.34 -19.15 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 t-20 -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -84.05 -33.17 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 18.9 m-85 -86.05 -21.22 27.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.97 -55.22 3.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 31.8 mt -62.33 91.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 m -89.9 -20.91 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.73 123.03 29.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.71 -36.6 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -34.43 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 78.7 m-20 -76.75 -55.76 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 3.8 mtmt -50.01 -62.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -33.67 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -61.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -18.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.2 -49.23 75.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 mt -52.95 -32.38 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.94 -39.08 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD13 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -46.64 -28.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.13 -39.15 9.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -53.05 -41.73 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.8 -50.94 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.6 tp -53.97 140.0 52.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.0 159.21 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 115.25 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 51' ' ' LEU . 11.6 tp -74.51 114.05 30.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.6 t0 -63.17 -52.56 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -43.72 -40.91 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -73.93 -38.72 64.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 3.5 mtmp? -54.36 -35.45 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.74 -20.55 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 5.49 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.19 -178.79 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 9.1 mtmm -104.69 136.79 43.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 57' ' ' GLU . 3.8 tp10 -79.54 125.6 29.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 2.8 mt -117.29 136.98 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.41 106.44 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.77 -35.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLU . 1.1 m -74.34 -169.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' CYS . 2.3 mm-40 -37.23 -48.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -150.81 166.75 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -44.18 151.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 9.5 t -145.09 165.59 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 52' ' ' LYS . 27.5 m-90 -141.44 141.95 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 107.961 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.7 132.43 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -141.31 141.62 11.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.506 ' O ' ' CG2' ' A' ' 70' ' ' THR . 27.6 p90 -155.14 172.59 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 8.9 p -158.54 139.24 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.41 133.03 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.13 -178.24 5.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.11 -34.45 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -91.6 -26.44 18.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.77 -28.67 3.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 102.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -83.49 163.05 20.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -139.72 104.72 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.648 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CG ' HG21 ' A' ' 99' ' ' VAL . 75.5 m-85 -85.12 153.72 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 29.3 p90 -164.95 119.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.51 175.32 31.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' GLY . 1.9 m-20 -167.45 122.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.96 171.44 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -30.76 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.26 171.93 52.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -54.76 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.455 ' CG2' HD13 ' A' ' 91' ' ' LEU . 4.9 mm -53.3 -58.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.88 -34.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -57.01 -58.03 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.01 -42.71 99.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 HD13 ' CG2' ' A' ' 87' ' ' ILE . 5.1 mt -47.33 -41.35 19.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.483 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.51 -48.0 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.447 ' CB ' HD13 ' A' ' 40' ' ' LEU . . . -39.5 -59.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.558 HG12 ' CE1' ' A' ' 116' ' ' PHE . 2.7 t -48.55 -43.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 92' ' ' LEU . 10.2 tt -63.49 -56.53 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . 19.0 mt -49.36 -32.56 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 21.4 m -75.36 -28.9 59.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -70.75 -23.94 62.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.497 HG21 ' CG ' ' A' ' 79' ' ' PHE . 16.6 m -103.61 29.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -55.14 102.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.55 42.51 0.67 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.17 161.14 14.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.2 p -96.88 147.81 23.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.03 -56.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.39 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -51.79 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 140' ' ' ILE . 40.3 mt -48.2 -56.7 7.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.67 -21.18 62.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.41 -26.81 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.62 114.83 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.4 p -65.03 136.94 96.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.34 21.43 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.39 -19.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -57.16 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.87 -59.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 94' ' ' VAL . 86.6 m-85 -45.42 -55.0 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.16 -49.03 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -48.21 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.528 ' CD2' ' CB ' ' A' ' 21' ' ' ARG . 16.7 mt -75.15 -28.52 60.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 83.86 29.35 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.45 HD13 ' CE2' ' A' ' 24' ' ' PHE . 80.0 mt -84.79 -13.54 50.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.456 ' CD ' ' HG ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -154.7 23.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.06 -19.87 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -98.26 22.64 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.456 ' HG ' ' CD ' ' A' ' 122' ' ' ARG . 2.4 mt -44.49 110.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.22 173.49 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -44.62 84.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -31.95 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 t -60.37 -48.73 80.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.32 -31.86 46.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.91 -60.48 5.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -39.8 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -64.93 -34.77 79.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 19.5 mt -76.48 -45.18 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 t -65.44 -51.59 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -52.22 -30.84 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.09 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 107' ' ' LEU . 14.4 mt -75.23 -40.19 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.36 -53.28 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.48 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.492 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -58.35 -59.3 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 p -55.62 -46.7 77.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.9 -33.95 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.51 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.73 -52.63 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.4 mt -47.66 -58.03 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m -87.75 144.42 26.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -142.08 123.14 8.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.67 26.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.95 -166.76 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -161.04 162.6 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.26 75.01 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.06 119.07 1.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 7.1 p80 -94.18 111.58 53.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 8.0 p90 -54.87 121.2 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.36 -42.28 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.6 m -75.43 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -115.36 -33.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.37 71.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -80.15 158.53 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -51.72 -26.06 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.5 tp10 -80.06 -59.2 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 m -45.8 -35.08 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.89 -39.64 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -68.72 -25.37 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -70.53 -33.04 70.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -80.46 -33.88 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.17 -27.56 26.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -40.4 -54.83 4.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 50.5 mt -70.04 99.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.8 p -97.86 -18.23 18.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.68 120.88 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 7.6 t90 -45.4 -50.06 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -38.16 -37.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 67.6 m-20 -70.87 -57.07 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.52 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE1' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -56.06 -30.05 61.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.71 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -56.49 -36.86 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -49.53 -35.97 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -66.58 -41.87 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttp -61.16 -41.52 96.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -42.97 -48.45 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.55 -47.8 89.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -51.4 -41.87 61.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.48 -41.08 84.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 92' ' ' LEU . 8.1 mp -58.65 142.44 83.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.45 35.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.43 97.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.09 119.27 47.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.76 36.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.13 -27.11 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 tp10 -62.51 -45.27 93.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -28.55 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -60.03 -35.45 75.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -14.24 60.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -87.17 -20.51 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.99 -170.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -108.89 152.14 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 133.88 34.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.9 mt -134.91 147.46 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.58 68.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -142.63 12.84 2.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.61 -50.64 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.08 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -147.43 -177.21 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -45.27 136.83 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 58' ' ' ILE . 68.8 t -138.16 123.26 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 13.3 m-90 -115.53 134.22 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.22 133.28 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.49 139.64 10.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 143' ' ' ALA . 34.8 p90 -148.27 164.1 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -146.4 157.71 43.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.18 162.6 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.61 -177.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.67 -53.31 40.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -65.97 -18.26 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 86.3 -16.36 44.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -50.07 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.503 ' HE2' ' CD1' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -75.32 159.78 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.88 104.59 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CD1' HG23 ' A' ' 99' ' ' VAL . 80.5 m-85 -84.22 145.86 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -165.18 125.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -162.62 -155.5 8.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.462 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 5.9 p-10 -166.05 -175.81 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.79 160.84 20.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -44.89 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.68 124.71 33.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -53.91 -59.2 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.86 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.38 -47.32 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.495 ' O ' ' CD2' ' A' ' 92' ' ' LEU . 8.4 ttm180 -57.04 -60.1 4.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.69 -41.11 26.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.58 -52.27 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -46.9 -42.41 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.16 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 116' ' ' PHE . 4.5 t -39.34 -48.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CD2' ' CD1' ' A' ' 140' ' ' ILE . 9.5 tt -52.3 -51.78 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . 4.7 mp -61.19 -27.87 68.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 53.9 m -75.06 -27.22 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -34.42 61.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.537 HG23 ' CD1' ' A' ' 79' ' ' PHE . 27.4 m -101.86 32.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 94.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.47 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -144.41 168.08 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.1 p -88.18 147.54 24.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 144' ' ' THR . . . -45.73 -55.43 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.98 -54.76 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -51.86 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' CD1' HG13 ' A' ' 99' ' ' VAL . 21.6 mt -49.75 -49.51 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.18 -30.0 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.22 -18.08 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -144.8 104.39 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -64.58 145.03 98.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -22.93 14.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -46.28 -52.25 12.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.456 HD13 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.24 -59.87 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 94' ' ' VAL . 78.9 m-85 -47.47 -49.98 24.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -63.72 -43.98 94.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.52 84.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 115' ' ' LEU . 88.2 mt -74.99 -27.85 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.93 31.07 7.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.0 mt -86.25 -53.99 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -79.74 -51.13 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -42.75 -45.27 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -74.61 -50.99 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.461 ' CD2' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER -44.66 143.54 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.1 m -60.65 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.97 -49.76 9.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.17 -64.2 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.461 ' HD3' ' CD2' ' A' ' 125' ' ' LEU . 37.2 mtp85 -54.62 -44.77 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -37.35 12.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -48.43 -27.58 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.41 -58.47 5.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.547 HD21 ' CD1' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -48.04 -44.55 31.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -38.21 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -63.82 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.57 -37.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.4 t -65.79 -69.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 5.7 pt-20 -45.03 -30.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.438 ' CD1' ' CD2' ' A' ' 95' ' ' LEU . 23.3 mt -75.23 -36.17 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.33 -47.5 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.23 97.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -61.41 -49.57 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 104' ' ' ALA . 4.2 p -59.07 -53.77 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -32.34 45.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -37.85 74.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -75.07 -50.37 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.8 -52.94 28.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.494 0.188 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.0 m -95.47 128.12 42.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -86.55 127.26 61.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.99 -167.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.28 121.1 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB1' ' CE1' ' A' ' 9' ' ' HIS . . . 172.72 72.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -54.33 7.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 60.4 m170 67.82 90.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 109.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.05 -37.36 2.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.579 ' CE2' HD11 ' A' ' 96' ' ' LEU . 8.0 p90 -54.4 112.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.53 -38.49 1.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -120.9 -79.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -63.06 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 10' ' ' PRO . 50.9 t -123.3 117.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.52 176.58 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 2.2 tt0 -84.52 -56.35 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -60.91 -37.47 82.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.71 -57.52 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' CB ' HD21 ' A' ' 119' ' ' LEU . 13.0 ptt180 -63.43 -18.8 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.57 -32.35 71.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.402 ' C ' ' HD2' ' A' ' 26' ' ' PRO . 12.6 m -84.43 -32.46 24.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 23.1 m-85 -84.12 -30.79 25.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.47 -55.58 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.6 91.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -81.74 -23.46 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.89 123.16 27.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -55.12 -36.42 65.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -37.71 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -71.17 -56.93 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -50.29 -49.07 54.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -58.64 3.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' MET . 48.5 tp60 -59.08 -41.89 89.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -42.87 -41.04 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.8 mt -59.59 -46.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -57.13 -37.86 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -49.0 -29.99 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.78 -33.17 31.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.43 -53.24 57.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -47.55 -46.87 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 17.2 tp -54.78 137.38 64.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 151.34 39.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.31 99.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.5 119.86 39.82 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -65.19 -48.35 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 10.0 pt-20 -45.6 -43.22 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -73.76 -37.67 64.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.22 -33.27 40.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.22 57.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.28 -19.96 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 -165.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -117.12 152.02 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.3 131.45 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.3 mt -129.09 148.43 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.49 174.96 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.39 -17.39 55.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 m -90.84 -176.47 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -40.24 -52.75 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.0 m120 -150.05 -177.09 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.22 145.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' ILE . 75.9 t -141.51 125.73 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 64' ' ' ARG . 19.7 m-90 -116.77 134.14 55.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -147.7 138.32 23.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.75 156.53 26.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.432 ' O ' ' CG2' ' A' ' 70' ' ' THR . 27.8 p90 -167.34 169.24 12.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 13.1 p -155.82 157.02 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 75' ' ' GLY . 2.9 t -105.86 144.82 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.04 177.29 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -19.21 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.83 -32.89 15.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 71' ' ' VAL . . . 128.15 -26.67 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.0 mttt -44.55 157.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 76' ' ' LYS . 75.2 mtp -148.85 140.99 23.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.49 103.83 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' HG23 ' A' ' 99' ' ' VAL . 65.1 m-85 -76.25 149.47 37.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 68' ' ' GLY . 44.9 p90 -159.16 169.41 24.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 157.68 -149.04 19.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 6.2 p-10 -172.09 -175.72 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -163.07 157.85 21.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.08 -35.22 32.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.17 156.48 50.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -58.79 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.66 -64.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -41.41 -32.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.83 -51.01 6.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.6 mt -46.85 -30.13 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.79 -50.54 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' CB ' ' CD1' ' A' ' 40' ' ' LEU . . . -46.29 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.579 HG12 ' CE2' ' A' ' 116' ' ' PHE . 6.8 t -44.45 -46.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.03 -49.35 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD11 ' CE2' ' A' ' 11' ' ' PHE . 45.6 mt -64.38 -28.33 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -75.63 -28.84 58.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.43 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 107' ' ' LEU . 32.8 m -114.05 31.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.64 94.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.82 77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -144.67 157.92 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 p -84.72 160.51 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.31 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.62 -54.33 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -35.7 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 99' ' ' VAL . 12.0 mt -64.09 -52.78 57.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.94 -22.46 62.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.19 -19.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 107' ' ' LEU . 22.2 tt0 -142.82 108.89 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -62.62 130.44 93.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.91 -20.95 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASP . . . -52.44 -61.07 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.94 -59.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 94' ' ' VAL . 86.7 m-85 -47.94 -37.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -73.69 -49.45 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -57.13 -42.84 81.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.484 HD21 ' CB ' ' A' ' 21' ' ' ARG . 15.1 mt -74.25 -31.46 62.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.11 39.98 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 116' ' ' PHE . 18.8 mt -85.37 -50.75 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -65.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.51 22.32 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 126' ' ' SER . 1.9 mt -44.83 120.9 2.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -38.77 149.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.01 -55.01 23.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 m -42.51 -54.44 3.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.01 88.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.4 t -47.16 -54.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -35.81 43.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.46 -56.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.52 -47.61 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.49 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.2 m-20 -57.32 -61.05 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.73 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.93 -56.79 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 t -65.08 -47.76 76.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 2.0 mm-40 -47.73 -35.3 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.19 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 144' ' ' THR . 15.1 mt -74.71 -40.29 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.9 mm -54.42 -47.72 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.25 86.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.02 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 47.4 p -54.43 -44.32 72.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -47.39 -33.64 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -49.97 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.71 -40.3 86.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.09 -27.74 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.512 0.196 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 3' ' ' ASN . 9.7 t -60.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.412 ' N ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -176.24 99.05 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -38.09 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -146.52 105.35 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -57.46 155.14 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 9' ' ' HIS . . . -114.93 135.02 54.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.41 -47.95 4.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.473 ' CD2' ' HB1' ' A' ' 7' ' ' ALA . 62.0 m170 65.63 68.5 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.28 11.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE1' HD22 ' A' ' 96' ' ' LEU . 18.9 p90 -69.21 125.53 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -32.55 4.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 m -81.92 -80.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.4 m -103.78 -5.38 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -133.54 70.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.501 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 10.1 t -100.29 -167.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -65.79 -44.25 86.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.7 tt0 -63.31 -61.51 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -53.45 -36.24 61.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' THR . 13.6 mt -63.89 -57.71 8.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 119' ' ' LEU . 5.2 ptm180 -64.87 -25.17 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.406 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 20.1 m -77.66 -25.01 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 13.6 m-85 -86.6 -24.61 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.516 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -40.2 -51.86 5.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.92 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -45.98 94.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.7 m -85.5 -23.66 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.405 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -84.96 110.89 19.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ASP . 6.0 t90 -45.18 -46.4 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 107.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -42.12 -27.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' TRP . 42.6 m-20 -64.99 -57.59 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -46.57 -52.18 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 124' ' ' GLN . 0.1 OUTLIER -65.54 -29.8 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -61.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 39' ' ' MET . 25.0 tt0 -54.32 -35.87 63.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.39 -31.12 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.45 -62.46 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.1 ptt? -46.21 -30.78 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -42.14 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.93 93.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -48.32 -51.8 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -56.01 -50.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 20.7 tp -54.28 138.62 57.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 148.65 35.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 104.12 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.66 114.78 9.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.6 42.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.05 -25.92 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.6 mm-40 -64.69 -45.92 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.04 -39.12 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 11.2 mtmt -53.78 -33.02 54.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.47 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -83.11 -16.88 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.98 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mtmm -115.84 150.89 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.25 133.41 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.16 113.99 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.4 60.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.26 35.9 1.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.53 -179.06 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -41.59 -37.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.92 -174.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -41.95 148.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.2 t -144.36 144.42 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.9 m-90 -135.84 136.45 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -154.13 137.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.26 141.2 10.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 143' ' ' ALA . 15.4 p90 -146.49 157.88 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -140.87 142.39 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG21 ' CG ' ' A' ' 77' ' ' MET . 3.2 t -105.65 162.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.67 -179.18 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.82 -53.07 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.82 -22.63 66.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 92.1 -17.63 56.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.477 ' CG ' HG21 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -77.73 157.95 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -137.73 104.34 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.594 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 99' ' ' VAL . 76.9 m-85 -84.51 147.32 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 34.7 p90 -165.21 117.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -153.43 -149.49 5.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 3.9 p-10 -174.98 -176.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -167.16 168.67 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -47.38 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.45 136.65 21.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -59.16 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 34' ' ' TYR . 4.2 tp -61.19 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 75.6 t -52.41 -41.98 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -50.9 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.99 10.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mt -46.73 -33.88 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 -54.35 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . -49.13 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 HG12 ' CZ ' ' A' ' 116' ' ' PHE . 1.1 t -40.77 -42.35 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' ALA . 6.6 tt -59.24 -61.38 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.58 HD22 ' CE1' ' A' ' 11' ' ' PHE . 4.7 mp -46.7 -29.97 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -74.79 -38.21 62.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -66.88 -16.22 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 79' ' ' PHE . 16.2 m -112.12 31.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 37.3 tt0 -55.53 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 37.26 45.89 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 160.55 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.5 p -96.97 146.63 24.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.16 -57.59 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.85 -61.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -45.83 -50.14 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.475 HD23 ' CG1' ' A' ' 99' ' ' VAL . 29.9 mt -51.4 -55.25 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -60.5 -24.68 65.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.32 -28.9 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -136.35 113.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.1 p -68.17 144.39 96.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.98 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 133' ' ' LEU . 15.2 mt -61.14 -22.07 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.57 74.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -52.55 -52.6 54.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 74.4 m-85 -50.8 -52.98 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.4 -34.6 75.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.83 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 79.2 mt -75.56 -21.93 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.86 43.22 6.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.426 ' HA ' ' NE2' ' A' ' 124' ' ' GLN . 13.8 mt -85.55 -37.11 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -67.65 -25.73 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.03 -11.73 42.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 39.1 mt-30 -92.5 -57.07 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 136.59 54.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.0 m -64.91 -174.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.62 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -47.54 50.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.5 t -49.21 -37.29 22.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.419 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 1.5 tt0 -55.82 -20.8 16.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -87.44 -28.36 24.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.422 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -65.12 -48.27 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.779 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 9.4 p30 -60.98 -31.78 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -65.55 -37.92 88.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.73 -37.57 59.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -65.11 -54.37 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 139' ' ' ALA . 8.1 pt-20 -48.97 -32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 138' ' ' GLU . . . -54.4 -41.67 69.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.438 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 27.5 mt -74.97 -43.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.5 mm -51.46 -50.32 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -65.12 -53.85 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 38.6 p -58.06 -42.7 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -35.91 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -38.98 61.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.79 -55.22 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -48.3 -50.81 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.535 0.207 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -175.06 145.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 172.79 113.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.06 42.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.62 132.21 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -172.34 171.98 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 92.0 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 98.6 0.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -87.92 116.92 67.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -23.2 13.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 3.0 m-30 -73.94 82.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.49 -47.75 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.04 -68.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -79.37 -42.47 25.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 19.5 t -104.05 73.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.46 173.19 12.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -62.2 -33.94 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.1 tp10 -73.61 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -44.88 -38.48 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.31 -42.54 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -62.46 -18.86 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -37.07 65.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.9 m -76.57 -35.3 58.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 14.3 m-85 -86.35 -23.89 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.95 -52.88 5.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.34 89.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' PRO . 6.2 t -86.83 1.63 51.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -105.95 144.5 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -81.47 -40.99 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.6 pt-20 -52.59 -43.24 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -64.74 -48.74 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 16.8 mtmt -54.02 -56.35 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.7 -26.62 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -60.64 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.02 -32.18 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 40' ' ' LEU . 9.2 mt -49.86 -39.56 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.37 -39.94 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 mtt -70.4 -29.03 65.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.11 -39.25 55.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.17 -42.52 83.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -50.39 -38.18 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.503 ' CD2' ' OD2' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 154.96 43.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.12 116.48 15.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 52' ' ' LYS . 31.4 tp -69.95 117.47 54.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.05 36.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.78 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.0 tp10 -44.07 -44.17 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -37.82 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -54.89 -39.17 68.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.18 -21.58 62.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.1 mp0 -83.76 -12.27 55.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.12 -176.21 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.5 154.91 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -84.82 126.96 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.3 mm -107.35 162.75 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -156.66 173.58 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.39 -10.79 62.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.45 169.15 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.44 -12.13 49.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -163.37 -179.55 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -60.73 140.44 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 4.0 p -152.64 165.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.464 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 18.1 m-90 -142.88 171.11 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.39 126.67 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.559 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -127.7 138.93 10.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 143' ' ' ALA . 18.7 p90 -144.37 166.7 24.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 6.1 p -158.97 178.01 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.69 135.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.51 -164.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -82.27 -30.84 30.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.41 -16.29 26.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 101' ' ' GLY . 1.3 mtmt -44.93 101.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.28 154.65 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -143.26 104.04 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' A' ' 99' ' ' VAL . 77.8 m-85 -84.33 154.68 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.559 ' CE2' ' HA3' ' A' ' 68' ' ' GLY . 7.0 p90 -165.42 119.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 82' ' ' ASP . . . -149.95 -170.4 17.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.503 ' OD2' ' CD2' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -164.91 160.1 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.457 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 18.9 t -150.73 171.88 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -56.75 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.58 141.85 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -56.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CG2' HD13 ' A' ' 91' ' ' LEU . 15.5 mm -62.17 -39.18 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.49 -37.08 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.23 -53.13 59.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.81 82.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' CG2' ' A' ' 87' ' ' ILE . 8.4 mt -47.55 -42.91 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.34 -41.71 93.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -50.12 -49.38 51.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 116' ' ' PHE . 2.4 t -60.92 -34.96 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.91 -57.83 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.49 ' CD1' ' HG ' ' A' ' 92' ' ' LEU . 5.0 mp -49.07 -26.13 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 18.5 m -75.21 -48.84 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.88 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.562 ' HB ' ' CE1' ' A' ' 79' ' ' PHE . 20.2 m -103.26 33.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 100' ' ' GLU . 2.3 tm-20 -55.25 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.49 45.71 2.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.95 162.53 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -91.32 157.42 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.15 -46.92 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -47.09 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.408 ' CD2' HG13 ' A' ' 99' ' ' VAL . 4.0 mt -51.72 -46.31 63.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -75.06 -21.98 58.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.29 61.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -151.18 131.22 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -72.78 145.44 86.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -0.82 10.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 mt -79.59 -19.36 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.89 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -41.22 -61.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 94' ' ' VAL . 91.7 m-85 -45.51 -54.85 6.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -59.76 -41.58 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -61.24 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.54 -20.66 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.37 30.95 53.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 99.7 mt -84.61 -21.06 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.431 ' HG2' ' CB ' ' A' ' 125' ' ' LEU . 0.3 OUTLIER -155.68 24.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.84 -28.03 69.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 21.81 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.431 ' CB ' ' HG2' ' A' ' 122' ' ' ARG . 0.3 OUTLIER -44.98 159.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 174.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.947 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.85 -61.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.54 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -74.95 -33.09 61.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -42.19 81.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -49.3 -45.17 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.16 -47.1 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -47.82 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 1.1 m-80 -47.85 -54.63 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.35 -56.61 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.0 mt -43.28 -55.72 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 t -63.07 -49.29 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.7 mm-40 -45.83 -35.97 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.6 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.463 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 37.0 mt -74.08 -42.07 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 43.3 mm -56.35 -54.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.09 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 69' ' ' TYR . . . -71.52 -47.84 52.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 43.7 p -62.54 -45.53 92.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -48.81 -35.36 14.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.12 81.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.14 -43.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -36.9 77.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.51 0.195 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -133.58 162.28 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -106.06 157.06 35.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.22 37.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -128.07 114.09 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -116.49 150.85 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . -40.47 128.29 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.26 -32.61 51.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 7' ' ' ALA . 15.9 p80 43.15 73.05 1.0 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.01 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -68.38 59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 150.98 44.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.19 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -117.21 -34.72 4.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.12 107.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.6 OUTLIER -127.36 155.55 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.452 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 115' ' ' LEU . . . -47.58 -31.55 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.58 -60.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -49.26 -43.63 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.82 -37.54 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.33 -32.38 56.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.39 -42.36 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -26.47 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' CD2' HD23 ' A' ' 119' ' ' LEU . 10.1 m-85 -86.72 -18.6 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.79 -54.41 3.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 -28.18 9.36 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 28' ' ' THR . 43.0 mt -62.93 -129.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.58 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 88.59 4.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.435 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' TRP . 30.0 mt-30 -109.58 112.71 24.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.703 ' N ' ' HZ2' ' A' ' 33' ' ' LYS . 1.3 t90 -37.65 -52.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -51.79 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -70.7 -55.38 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.703 ' HZ2' ' N ' ' A' ' 30' ' ' TRP . 1.7 mtpt -43.66 -55.97 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 1.7 t80 -58.85 -30.93 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -54.19 -32.19 54.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.19 -36.1 18.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.42 -38.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.7 mmt -62.44 -36.76 83.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -52.4 -28.38 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.27 -54.18 5.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -44.33 -51.72 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.59 -43.39 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.53 138.61 29.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.85 39.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.09 116.77 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 51' ' ' LEU . 26.9 tp -68.82 117.79 54.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.6 30.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -64.87 -55.83 17.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -42.59 -41.18 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' CB ' HD13 ' A' ' 47' ' ' LEU . 1.1 mm? -73.98 -39.24 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 28.1 mttt -52.54 -37.64 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.51 61.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -81.22 -13.63 58.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.08 -174.88 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -113.89 147.65 38.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.43 85.05 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.9 mt -66.93 135.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.36 83.81 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 169.97 48.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 56.5 m -134.72 -49.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER 166.4 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -151.11 -175.84 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -50.43 128.21 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.478 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 61.6 t -129.65 152.98 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 9.7 m-90 -142.88 121.8 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -137.15 137.07 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -142.05 141.19 10.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 70' ' ' THR . 10.5 p90 -155.76 168.1 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 0.799 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 4.8 p -156.95 144.41 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 98.0 t -98.23 132.37 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.26 169.4 10.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -39.65 60.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -69.56 -31.83 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.42 -32.13 5.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 108.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.454 ' HG3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -82.99 164.23 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 104.49 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CD2' HG23 ' A' ' 99' ' ' VAL . 92.0 m-85 -89.31 148.7 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 55.4 p90 -165.31 121.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -159.25 -162.32 11.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.6 -174.59 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.82 164.31 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -47.41 17.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -69.29 113.28 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -46.0 -55.91 6.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.443 HG13 ' CD1' ' A' ' 91' ' ' LEU . 6.3 tp -47.48 -56.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.5 t -63.05 -24.79 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.8 ttt180 -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.48 ' CA ' ' HB3' ' A' ' 40' ' ' LEU . . . -61.05 -44.87 97.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 ' CD2' ' CE1' ' A' ' 116' ' ' PHE . 2.5 mt -50.29 -52.39 36.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.99 -43.44 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.15 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.575 HG13 ' CE2' ' A' ' 116' ' ' PHE . 2.6 t -42.65 -52.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tt -48.88 -62.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 11' ' ' PHE . 4.6 mp -52.74 -30.48 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.44 -27.7 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.32 -21.75 59.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.577 HG23 ' CD2' ' A' ' 79' ' ' PHE . 19.4 m -113.25 24.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -54.96 121.58 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 34.43 72.4 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -144.42 162.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.3 p -92.96 148.74 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.72 -51.12 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.04 -53.77 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -49.71 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.446 HD23 ' CG1' ' A' ' 99' ' ' VAL . 5.3 mt -50.73 -46.79 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -69.48 -26.72 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.76 -17.83 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 103.94 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.23 134.55 75.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.2 20.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -72.41 -19.92 61.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.27 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.65 -59.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 94' ' ' VAL . 91.8 m-85 -48.2 -56.84 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -56.54 -32.59 65.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -53.72 37.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 24' ' ' PHE . 63.8 mt -75.66 -13.46 60.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.58 22.93 48.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 94' ' ' VAL . 16.2 mt -85.14 -11.38 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 116' ' ' PHE . 5.5 ttp180 -154.53 30.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.32 -49.25 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.453 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -131.42 23.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 mt -44.43 128.39 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.4 t -40.68 160.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.1 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 m -45.64 -64.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -51.67 -55.81 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 26.8 t -48.14 -48.73 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -26.77 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -76.13 -46.16 13.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.524 HD12 ' CG ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -55.28 -43.44 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.59 -57.41 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.37 3.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 mt -41.26 -56.11 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 40.8 t -62.1 -51.56 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.07 -35.35 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.99 -57.83 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.556 HD11 ' CE1' ' A' ' 79' ' ' PHE . 34.1 mt -62.45 -36.75 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.7 mm -55.52 -53.41 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.91 77.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.2 -55.59 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 p -53.87 -44.18 70.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -32.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -45.34 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.35 -49.5 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.7 mt -50.18 -54.86 17.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.436 0.16 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -114.28 130.56 56.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -142.35 113.2 6.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 131.73 14.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.58 123.45 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -158.34 163.56 37.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.91 109.38 21.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.78 -69.35 0.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 71.66 98.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 109.583 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.0 -21.51 15.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 2.3 m-30 -64.36 74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 168.05 -57.91 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.8 -80.18 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -58.98 -40.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 t -103.51 131.38 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.1 OUTLIER -146.39 164.14 33.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.419 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . . . -52.35 -39.18 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 35.4 tt0 -72.72 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -48.72 -38.27 21.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.19 -31.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 5.9 ttp85 -67.63 -21.89 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.02 -26.58 62.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 99.3 m -75.14 -44.78 45.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 31.6 m-85 -86.82 -19.06 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.14 -53.33 3.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.01 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -49.58 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.9 m -75.81 -22.98 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.78 149.26 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 124' ' ' GLN . 14.1 t90 -86.93 -33.45 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.04 -18.63 61.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.42 -62.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 87' ' ' ILE . 1.9 t80 -56.52 -40.09 74.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -60.94 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 tm0? -57.85 -34.44 69.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.13 -56.81 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.87 -43.82 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.88 95.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -31.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -79.69 -51.86 4.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 mtmt -40.2 -46.06 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.94 -47.2 52.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' GLY . 14.3 tp -55.09 137.87 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 154.36 42.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 127.23 83.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.97 30.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.88 -25.48 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -64.87 -44.58 89.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -27.66 60.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.03 -34.44 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.73 60.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -82.68 -20.69 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.49 -167.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -114.35 152.35 31.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -85.14 136.67 33.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 136' ' ' LEU . 12.5 mt -137.52 138.05 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' N ' HG21 ' A' ' 58' ' ' ILE . . . -148.13 88.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' CA ' ' A' ' 132' ' ' GLY . . . -172.95 42.67 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -47.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 170.22 -31.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ARG . 60.2 m-80 -149.35 165.77 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -37.35 144.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 82.0 t -140.04 138.32 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 6.2 m-90 -131.41 136.31 47.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.17 135.46 18.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.68 141.72 10.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' O ' ' CG2' ' A' ' 70' ' ' THR . 42.6 p90 -154.8 170.11 22.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 12.4 p -157.99 139.74 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.433 ' CG1' ' HA2' ' A' ' 75' ' ' GLY . 2.3 t -80.87 129.76 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.99 -176.23 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.48 -35.66 81.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -89.84 -27.03 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' A' ' 71' ' ' VAL . . . 131.45 -21.63 4.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.2 mtp -84.74 148.53 26.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 104.28 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 99' ' ' VAL . 81.8 m-85 -86.1 143.92 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 15.7 p90 -164.53 128.67 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -156.62 -154.79 7.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 4.3 p-10 -171.05 -177.32 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -170.8 166.11 7.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -46.55 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.37 116.0 8.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -53.52 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.429 HD12 ' CE1' ' A' ' 34' ' ' TYR . 17.8 mm -59.27 -61.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.75 -43.33 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -49.04 77.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.03 -44.21 98.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.87 -42.61 37.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 88.6 mt -53.41 -54.55 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -38.31 -64.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 116' ' ' PHE . 3.0 t -44.0 -43.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -60.81 -51.94 67.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 3.4 mm? -54.72 -32.61 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.7 -31.3 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.98 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 79' ' ' PHE . 16.4 m -94.55 31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.6 tm-20 -55.72 91.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.57 44.75 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -95.27 162.25 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.3 p -94.06 146.97 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -40.07 -57.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.45 -51.74 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -54.97 12.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 140' ' ' ILE . 10.0 mt -47.45 -48.65 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.42 -29.69 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.31 -19.64 53.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 109.42 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 142.92 98.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.41 15.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 116' ' ' PHE . 17.6 mt -78.86 -40.63 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . . . -40.18 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -64.56 -54.05 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 94' ' ' VAL . 25.6 m-85 -49.18 -42.94 41.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -71.13 -28.62 64.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -59.03 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.25 -26.03 58.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.06 43.77 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 94' ' ' VAL . 22.8 mt -85.5 -26.51 26.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -70.7 -20.89 62.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.19 -40.13 46.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 18.7 mm-40 -79.09 -33.35 44.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.51 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.57 174.12 11.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.19 -58.27 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.14 -71.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -45.39 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.7 p -46.61 -44.74 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.481 ' HA ' ' OD1' ' A' ' 134' ' ' ASN . 4.3 tt0 -51.11 -26.41 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.26 -31.07 17.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.481 ' OD1' ' HA ' ' A' ' 131' ' ' GLN . 0.9 OUTLIER -75.03 -34.63 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.416 ' N ' ' ND2' ' A' ' 134' ' ' ASN . . . -64.34 -37.85 88.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 58' ' ' ILE . 8.5 mt -75.08 -42.58 56.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -65.91 -53.4 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.6 -31.54 25.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.21 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 79' ' ' PHE . 21.3 mt -75.81 -37.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.4 mm -58.85 -46.33 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.488 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -67.08 -55.68 13.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.482 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 7.8 p -50.0 -36.2 27.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -34.82 70.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -41.5 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.16 -53.14 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mt -45.34 -47.26 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.3 p -149.95 178.99 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 145.65 46.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 1.2 pt20 -146.87 112.01 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -177.4 171.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.33 146.24 50.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.26 87.84 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -94.65 141.46 23.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.67 21.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HB1' ' A' ' 93' ' ' ALA . 20.0 m-85 -73.02 70.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.91 44.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.92 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -36.25 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.31 87.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 1.0 OUTLIER -104.88 179.59 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.526 ' CB ' ' CD2' ' A' ' 115' ' ' LEU . . . -61.37 -26.93 68.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.63 -61.32 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -48.69 -42.19 34.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -63.02 -40.83 98.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -23.33 65.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -67.97 -23.0 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -84.48 -36.24 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 28.7 m-85 -86.05 -26.38 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.68 -53.44 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.0 Cg_endo -75.07 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.812 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 21.9 mt -58.67 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -78.9 -22.57 45.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.62 115.16 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.519 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.4 t-105 -48.11 -44.23 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 107.989 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.63 -36.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ARG . 73.9 m-20 -64.64 -57.2 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 12.8 mttt -44.17 -57.51 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.427 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.53 -23.74 66.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -75.49 -63.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' MET . 60.5 tp60 -55.01 -40.13 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD2' HD11 ' A' ' 40' ' ' LEU . 13.5 mt -43.75 -50.83 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' A' ' 34' ' ' TYR . 3.6 mt -54.08 -38.88 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' GLN . 1.8 mtt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.17 -30.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 -42.53 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -46.19 -54.45 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -44.64 -44.23 8.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.6 131.91 77.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.03 40.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 99.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -55.47 125.96 61.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.13 41.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 tp10 -56.38 -45.36 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -36.26 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.33 -37.65 70.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.58 62.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -86.61 -10.52 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -179.49 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.72 148.82 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.62 137.22 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.2 mt -135.22 110.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.0 89.82 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.92 33.9 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.33 -172.32 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -36.38 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ARG . 74.0 m-20 -162.49 -178.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.46 148.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' ILE . 81.6 t -144.65 128.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 14.6 m-90 -120.27 145.55 46.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.44 132.08 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -140.89 140.22 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 9.8 p90 -149.12 170.64 17.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 p -152.9 137.54 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.33 142.63 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.29 178.94 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -29.75 70.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -83.6 -8.91 59.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.37 -20.53 44.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -45.09 163.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -151.5 156.01 39.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -143.03 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 140' ' ' ILE . 72.7 m-85 -81.01 151.97 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 69' ' ' TYR . 28.7 p90 -165.42 119.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -150.73 -149.32 5.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -174.57 170.17 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 t -156.9 167.1 31.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -51.57 6.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.75 155.4 1.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -59.33 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.38 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.414 ' N ' HG23 ' A' ' 87' ' ' ILE . 41.5 t -66.55 -50.51 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' O ' ' CD2' ' A' ' 92' ' ' LEU . 22.5 ttm180 -46.56 -55.98 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.43 -45.52 94.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mt -48.87 -44.21 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -60.91 -55.32 34.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB1' ' CE2' ' A' ' 11' ' ' PHE . . . -39.01 -57.92 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 116' ' ' PHE . 2.0 t -46.78 -44.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 92' ' ' LEU . 7.9 tt -56.98 -48.71 77.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mm? -56.91 -30.23 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 1.3 m -76.83 -31.24 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.43 -31.3 60.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' GLY . 20.7 m -92.04 30.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 48.59 41.94 26.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -93.77 162.14 14.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.3 p -104.9 152.02 23.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.79 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.57 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.49 -52.9 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 140' ' ' ILE . 12.1 mt -47.91 -44.18 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.23 -28.02 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.64 -23.85 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -146.36 116.93 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.8 p -70.51 143.54 90.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.24 18.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.66 -28.68 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -48.91 -60.19 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.526 ' CD2' ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -38.74 -61.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CZ ' HG11 ' A' ' 94' ' ' VAL . 94.9 m-85 -46.96 -51.76 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.43 -38.49 87.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.91 75.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.73 -26.21 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.18 40.91 8.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.02 -54.25 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.451 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.519 ' HG2' ' CE2' ' A' ' 30' ' ' TRP . 1.5 mm-40 -82.86 -37.33 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 122' ' ' ARG . 11.8 mt -48.94 133.22 18.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 173.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.73 -50.39 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.39 -58.34 5.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -46.05 77.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 p -48.66 -35.99 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.59 -29.05 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.59 -58.97 7.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.451 HD11 ' CZ ' ' A' ' 122' ' ' ARG . 0.4 OUTLIER -45.59 -47.36 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -49.3 -39.93 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.23 80.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.94 -41.51 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -57.65 -54.36 47.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.16 -27.76 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.25 -37.21 74.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.546 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 32.2 mt -74.74 -47.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.5 mm -51.09 -49.55 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 69' ' ' TYR . . . -73.49 -45.51 53.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 29.3 p -63.99 -44.31 93.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -48.33 -40.75 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.76 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 94.4 t -73.64 -49.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.2 mt -50.8 -43.89 58.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.449 0.166 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -46.28 159.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.03 151.95 59.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.25 16.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.74 130.14 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.54 106.7 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -179.84 60.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.35 52.48 4.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -57.59 115.21 10.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.618 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.525 ' CG ' ' HA ' ' A' ' 93' ' ' ALA . 3.8 m-85 -73.78 61.46 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.4 -36.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -105.42 -89.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -54.17 -47.37 72.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.77 103.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 -179.49 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . . . -63.46 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.61 -61.17 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -49.63 -46.51 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.15 -35.55 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -61.39 -28.44 69.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -34.51 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -73.27 -35.84 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 46.4 m-85 -85.94 -23.07 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 26' ' ' PRO . . . -39.48 -54.74 3.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 -42.59 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.76 98.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -98.15 -16.19 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.99 115.76 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.8 t90 -43.35 -44.59 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 10.6 pt-20 -40.41 -48.03 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 67.1 m-20 -65.02 -46.34 81.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -52.39 -53.36 45.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.1 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -73.92 -56.55 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 52.8 tp60 -57.16 -42.2 80.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -43.39 -47.43 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 86' ' ' ARG . 7.9 mt -54.27 -42.57 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -60.5 -43.15 97.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.41 -32.87 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -70.78 -47.1 41.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -43.32 -48.25 6.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -50.54 56.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.08 126.16 25.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.26 40.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.43 102.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 115.0 7.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.225 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -47.52 77.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -45.08 -46.53 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -73.77 -44.93 54.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 1.1 mtmt -53.1 -32.44 47.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.16 -28.34 60.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -81.04 -17.08 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.98 176.55 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -107.41 153.54 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -85.02 129.8 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.434 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 4.5 mt -128.7 152.02 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 58' ' ' ILE . . . -162.09 86.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.99 52.91 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' CA ' ' A' ' 132' ' ' GLY . 4.9 m -146.37 -48.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 172.66 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ARG . 21.2 m-20 -148.75 173.12 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -37.89 146.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 95.6 t -142.32 150.78 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' ' HD3' ' A' ' 52' ' ' LYS . 7.6 m-90 -143.21 144.03 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -146.91 132.6 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -146.46 137.44 6.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 143' ' ' ALA . 14.0 p90 -149.35 160.1 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -146.23 140.28 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.04 141.66 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.21 -175.01 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.37 -39.87 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.0 p-10 -85.85 -28.15 24.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.05 -19.08 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -44.68 100.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -85.74 161.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -142.93 104.36 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 64.5 m-85 -85.16 152.98 22.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 2.2 p90 -165.73 170.21 14.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.061 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.31 -151.78 20.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.135 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 2.8 p-10 -172.9 164.68 5.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.441 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 5.6 t -154.95 158.25 38.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -46.42 27.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -52.63 121.97 17.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.466 ' HB3' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.33 -59.1 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.9 -55.94 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 t -47.32 -35.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 83' ' ' SER . 7.5 ttt85 -70.6 -44.19 67.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.32 -42.29 90.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.5 mt -50.18 -39.94 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 82' ' ' ASP . 10.7 mt -46.84 -49.75 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.525 ' HA ' ' CG ' ' A' ' 11' ' ' PHE . . . -48.51 -67.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 116' ' ' PHE . 5.7 t -47.81 -37.32 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 136' ' ' LEU . 9.1 tt -65.06 -55.52 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 80' ' ' PHE . 8.8 mp -61.3 -25.87 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.45 -31.1 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.84 64.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 107' ' ' LEU . 24.9 m -103.78 32.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.26 80.9 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -144.78 158.23 43.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.9 p -75.62 146.3 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 144' ' ' THR . . . -52.72 -37.8 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -30.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.513 ' CD1' ' CE1' ' A' ' 79' ' ' PHE . 8.9 mt -64.19 -40.73 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' ALA . 5.3 mt-30 -71.53 -27.02 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.22 -29.21 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -102.71 119.6 39.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.8 p -75.65 113.94 31.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.91 2.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 137' ' ' SER . 13.3 mt -59.26 -31.5 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.57 -43.6 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -50.16 -59.73 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 94' ' ' VAL . 76.2 m-85 -46.2 -52.35 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -63.04 -36.46 83.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -48.48 78.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.39 35.37 8.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 116' ' ' PHE . 22.3 mt -84.25 -42.9 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.411 ' HG3' ' CD2' ' A' ' 125' ' ' LEU . 24.6 ttp180 -86.78 29.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -43.52 -64.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.06 27.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 130' ' ' SER . 0.3 OUTLIER -44.37 142.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.5 OUTLIER -38.62 136.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -77.06 -58.92 3.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -50.08 -28.53 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.416 ' N ' HD12 ' A' ' 125' ' ' LEU . 5.0 t -51.39 -31.49 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -18.51 51.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.406 ' CA ' ' SG ' ' A' ' 61' ' ' CYS . . . -78.19 -57.15 3.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.59 -38.77 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 138' ' ' GLU . . . -64.03 -49.01 74.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 95' ' ' LEU . 8.1 mt -63.73 -36.12 82.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.401 ' CB ' HD23 ' A' ' 113' ' ' LEU . 2.8 t -60.68 -59.86 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 135' ' ' ALA . 7.8 pt-20 -51.35 -29.08 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.97 82.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.482 ' O ' ' CG2' ' A' ' 144' ' ' THR . 16.4 mt -72.35 -36.32 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.8 mm -62.26 -56.04 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.83 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.571 ' HB3' ' CE2' ' A' ' 69' ' ' TYR . . . -75.18 -49.5 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 28.9 p -65.47 -48.02 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -27.65 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.28 -49.85 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.59 -34.39 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.22 -53.86 46.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -174.57 159.6 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -164.69 91.4 0.99 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.97 112.67 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -177.23 152.77 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.46 117.42 4.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.1 75.56 0.28 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -82.92 152.08 65.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.413 ' CB ' ' HB ' ' A' ' 14' ' ' THR . 18.1 Cg_endo -75.04 -13.3 21.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 93' ' ' ALA . 17.0 m-85 -65.39 85.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.02 -35.96 2.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -90.54 -34.36 15.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 0.731 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.413 ' HB ' ' CB ' ' A' ' 10' ' ' PRO . 1.8 m -112.86 -35.07 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 11' ' ' PHE . 29.6 m -125.53 89.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -79.82 171.86 14.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -53.91 -26.59 25.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 26.8 tt0 -81.61 -62.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -43.29 -35.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 97' ' ' THR . 1.2 mt -65.75 -50.12 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -64.32 -18.97 65.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -70.21 -40.42 74.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 2.0 m -75.68 -32.07 59.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 21.8 m-85 -86.27 -21.42 27.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.08 -54.21 3.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.01 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 18.8 mt -64.97 92.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -88.55 -21.28 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.69 128.97 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.484 ' CH2' ' HB3' ' A' ' 124' ' ' GLN . 6.4 t90 -56.95 -40.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -47.56 -35.32 8.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 71.0 m-20 -70.1 -57.27 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -53.38 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.03 -37.4 74.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -56.63 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' A' ' 39' ' ' MET . 66.0 tp60 -55.7 -40.4 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -47.47 -48.42 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.4 mt -54.66 -37.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.408 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 2.5 mtt -73.6 -26.14 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -23.25 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.89 -46.16 9.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -45.69 -39.5 8.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -59.97 -47.79 84.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.37 131.61 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.57 31.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.767 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.23 113.15 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 51' ' ' LEU . 22.6 tp -67.83 123.37 86.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.94 41.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.61 -38.83 92.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.27 -42.6 81.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -74.12 -33.59 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.1 mtmt -55.95 -40.96 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.68 -17.35 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.7 17.05 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB3' ' C ' ' A' ' 67' ' ' LEU . . . -132.91 -171.35 2.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -119.79 149.17 42.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.8 117.8 24.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 3.4 mm -87.96 158.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.74 102.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.05 -33.5 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ASN . 42.2 m -74.52 176.37 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -38.49 -31.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' CYS . 1.7 m-20 -164.41 177.37 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -53.14 143.33 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 12.5 t -139.41 129.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 17.6 m-90 -98.28 126.12 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' C ' ' HB3' ' A' ' 55' ' ' ALA . 6.8 tt -143.65 144.41 31.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.97 159.08 30.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -167.49 164.33 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -140.72 138.62 34.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 t -82.45 122.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -178.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -35.81 82.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.03 -29.41 23.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.07 -26.03 3.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.56 103.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mtp -85.48 156.11 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.41 118.14 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' HG21 ' A' ' 99' ' ' VAL . 25.1 m-85 -102.1 150.87 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 26.0 p90 -166.48 113.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -148.91 -148.24 4.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 65' ' ' VAL . 35.4 p-10 -163.89 -170.4 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -156.54 154.31 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -80.77 -37.13 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.4 176.23 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -88.58 -58.31 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.351 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.3 mm -45.42 -66.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.4 t -47.56 -36.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 1.7 ttt180 -54.97 -51.58 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.52 -50.74 53.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -45.62 -44.99 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.58 -58.82 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.567 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . . . -40.88 -64.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 116' ' ' PHE . 2.2 t -41.45 -51.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.29 -55.92 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mp -56.84 -30.35 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.543 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 17.8 m -75.7 -32.1 59.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -75.26 -32.63 61.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.498 HG21 ' CD1' ' A' ' 79' ' ' PHE . 35.0 m -92.31 32.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.33 99.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.94 45.47 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -94.76 162.69 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.6 p -101.78 155.02 18.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.57 -53.25 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -49.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -45.83 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 140' ' ' ILE . 9.7 mt -51.67 -41.18 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 34.2 mt-30 -73.23 -28.64 62.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.89 59.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.45 110.32 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -75.11 152.51 86.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.52 8.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.23 -25.12 61.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.41 -58.29 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.89 -61.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.565 ' CZ ' HD23 ' A' ' 91' ' ' LEU . 10.5 m-85 -44.83 -51.37 9.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.12 -52.72 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.51 -57.18 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.97 -31.09 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.92 37.66 5.98 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.9 mt -85.26 -68.53 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -86.66 25.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.16 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.484 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -109.9 23.68 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 126' ' ' SER . 1.1 pp -55.41 -167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.429 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 0.8 OUTLIER -164.91 170.28 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.18 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -70.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.3 mmt180 -51.35 -46.61 62.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -43.06 -64.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -24.04 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -80.36 -53.01 4.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.12 -37.82 69.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.81 -56.11 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.87 -59.1 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.9 mt -44.55 -58.93 2.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 140' ' ' ILE . 41.4 t -56.35 -51.58 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -41.4 -38.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.09 61.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 144' ' ' THR . 3.5 mt -75.23 -46.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.411 ' O ' ' OG1' ' A' ' 144' ' ' THR . 5.9 mm -53.13 -39.41 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.05 88.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.01 67.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 67.6 p -51.85 -40.74 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -58.01 -37.35 74.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.05 59.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.69 -56.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.7 mt -46.35 -46.67 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.53 0.205 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 2' ' ' THR . 15.3 t -158.01 57.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -117.58 164.28 20.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -128.54 119.88 25.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.29 175.39 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 -65.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.78 -42.26 3.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 80' ' ' PHE . 5.5 m80 -50.4 118.08 8.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -74.99 75.11 3.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 93' ' ' ALA . 56.2 m-85 -154.33 57.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.52 -29.48 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -99.16 -60.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -91.47 -45.64 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG1' HD13 ' A' ' 20' ' ' LEU . 7.5 t -87.5 97.12 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 0.6 OUTLIER -108.69 165.71 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB3' ' CG ' ' A' ' 115' ' ' LEU . . . -48.88 -25.06 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tt0 -76.61 -54.82 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -59.18 -37.94 78.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 15' ' ' VAL . 2.5 mt -65.85 -57.41 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -59.36 -18.9 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -30.14 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -85.73 -32.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 36.1 m-85 -85.42 -25.43 26.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -39.23 -54.18 3.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.98 -43.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -66.49 88.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.3 m -90.69 19.93 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -119.96 120.38 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -54.42 -39.5 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -52.91 -36.73 59.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -56.32 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 9.6 mttt -45.97 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.55 -31.95 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -62.28 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -22.63 42.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 121' ' ' LEU . 14.3 mt -58.99 -48.82 80.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mp -51.31 -35.65 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtt -75.5 -32.97 60.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD21 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -49.89 -32.16 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -41.79 91.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -47.04 -50.43 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -49.52 -35.58 20.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 HD12 ' CE2' ' A' ' 11' ' ' PHE . 3.7 tp -60.15 127.78 86.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.28 43.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.07 98.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' CD1' ' NE2' ' A' ' 9' ' ' HIS . 2.9 tp -61.43 128.48 89.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 138.15 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.68 -25.06 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -63.74 -42.76 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -29.29 61.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 9.0 mttt -58.91 -34.42 71.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.63 -14.71 60.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -90.85 -10.72 41.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 67' ' ' LEU . . . -104.47 -174.03 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -123.64 148.47 46.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.19 86.43 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt -65.5 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.98 169.86 11.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.44 -26.85 13.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.83 -176.36 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -49.02 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -155.53 -172.72 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG3' ' CH2' ' A' ' 66' ' ' TRP . 17.0 ptp180 -53.88 119.3 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' ILE . 40.1 t -115.25 130.04 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.528 ' CH2' ' HG3' ' A' ' 64' ' ' ARG . 22.7 m-90 -108.56 118.39 36.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' N ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 tt -135.03 144.98 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.5 157.42 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 25.7 p90 -159.45 151.18 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 77' ' ' MET . 3.3 p -146.89 146.4 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.09 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.76 -162.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.88 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.3 p-10 -73.88 -30.32 62.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.34 -12.42 6.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -44.04 108.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 70' ' ' THR . 44.8 mtp -81.97 143.24 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.574 ' O ' ' CE2' ' A' ' 80' ' ' PHE . 10.9 m170 -123.1 104.33 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 140' ' ' ILE . 84.5 m-85 -90.21 141.86 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 78' ' ' HIS . 2.6 p90 -166.35 132.67 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -160.16 -155.46 7.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.447 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 19.2 p-10 -174.42 115.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.754 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -86.0 171.48 11.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.04 -48.08 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.79 152.77 52.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -29.92 57.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.4 mm -68.6 -67.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -46.07 -43.51 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.01 -55.4 5.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.52 97.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -50.15 -48.4 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 4.8 mt -47.3 -43.51 22.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' A' ' 11' ' ' PHE . . . -45.4 -70.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.556 HG13 ' CE2' ' A' ' 116' ' ' PHE . 21.0 t -43.25 -52.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.0 -58.79 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -57.73 -29.03 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 16' ' ' THR . 19.1 m -75.46 -33.86 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 112' ' ' PRO . . . -74.67 -32.55 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG23 ' CD1' ' A' ' 79' ' ' PHE . 30.7 m -96.26 32.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' GLY . 9.1 pt-20 -56.19 104.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 35.48 47.24 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -95.29 151.44 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 p -87.16 148.03 25.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.21 -53.63 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.25 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.91 -47.61 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 99' ' ' VAL . 20.1 mt -54.02 -45.07 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -63.01 -34.28 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.95 -14.4 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -115.21 -173.55 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -163.85 131.76 2.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -74.96 -27.14 10.34 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.24 -26.12 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.13 -54.4 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.24 -50.25 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CE2' HG13 ' A' ' 94' ' ' VAL . 48.7 m-85 -53.99 -55.28 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.11 -40.03 92.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -52.04 67.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.0 mt -73.8 -24.49 59.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 94.1 24.07 20.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 84.4 mt -83.02 2.98 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -154.74 30.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.67 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.4 21.96 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 126' ' ' SER . 2.9 mt -44.9 122.5 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 129' ' ' ARG . 0.3 OUTLIER -39.42 147.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.17 -62.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -56.41 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.45 ' HD2' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -52.36 -54.02 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.8 m -45.34 -55.06 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.81 -28.06 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -68.39 -52.37 26.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 116' ' ' PHE . 0.9 OUTLIER -50.89 -53.63 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.27 -58.32 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.86 -61.84 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.8 mt -42.52 -59.09 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 t -51.55 -51.32 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -46.26 -34.99 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.46 -35.55 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.58 HD12 ' CE2' ' A' ' 79' ' ' PHE . 11.6 mm -75.15 -40.62 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.47 -54.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.53 -36.06 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.524 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.82 -48.22 47.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 52.0 p -62.83 -44.25 96.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -38.4 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -59.25 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.26 -57.28 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.61 -36.89 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.532 0.206 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -134.88 148.52 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -104.7 154.64 38.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 156.39 42.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -132.09 118.69 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.08 173.27 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.37 -68.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.01 172.05 12.42 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 63.95 114.42 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.589 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 50.28 2.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -72.03 60.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.87 -34.53 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -97.9 -84.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.412 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 -48.48 54.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 t -89.35 79.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.04 168.34 11.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -58.72 -23.33 59.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 24.6 tt0 -82.05 -59.75 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.8 m -46.92 -33.71 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -54.37 40.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -60.4 -18.67 52.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -66.38 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -83.64 -29.85 27.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ALA . 28.1 m-85 -86.45 -24.39 25.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.86 -52.78 3.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 -32.33 5.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.1 88.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 m -84.32 -21.6 30.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.77 119.37 23.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -54.61 -29.65 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.37 -32.7 72.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.04 -56.59 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 10.5 mttt -46.75 -62.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 0.5 OUTLIER -53.75 -31.65 49.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -23.1 37.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.4 mt -58.29 -44.17 88.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.09 -32.91 51.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmt -75.26 -28.39 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -40.69 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.59 88.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.16 -45.72 53.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.85 -42.31 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.19 133.81 90.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.46 35.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.83 107.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' CD2' ' OD1' ' A' ' 82' ' ' ASP . 6.3 tp -63.81 133.84 95.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.93 152.48 41.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -60.58 -44.09 96.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.36 -29.69 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 10.1 mttt -58.57 -34.5 71.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.52 60.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -87.96 -17.37 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.71 -169.41 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.1 mtmm -114.01 150.05 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 133.17 34.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.415 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 7.7 mt -131.46 133.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.23 -170.67 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.77 -16.87 43.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.64 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -38.15 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' ARG . 26.0 m120 -157.15 178.04 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.64 150.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 58' ' ' ILE . 92.6 t -145.27 145.51 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.8 m-90 -138.3 146.46 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -158.97 132.97 7.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -136.86 150.65 20.66 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 143' ' ' ALA . 44.2 p90 -156.28 174.11 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 9.2 p -158.57 146.37 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.476 ' CG2' ' HE3' ' A' ' 77' ' ' MET . 2.4 t -109.37 163.99 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.44 -171.9 3.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -51.81 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -63.98 -12.72 40.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.13 -12.83 52.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -48.1 156.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 84.9 mtp -150.53 140.34 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.42 104.18 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 140' ' ' ILE . 87.7 m-85 -74.87 147.45 41.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 31.4 p90 -157.39 123.05 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.6 -159.75 9.21 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -166.24 173.82 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -157.31 168.95 25.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -40.25 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.02 131.64 50.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.4 77.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 3.6 tp -81.7 -48.33 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 94.5 t -52.74 -46.31 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 3.3 ttt180 -45.02 -55.05 5.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.71 89.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.42 -41.9 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 89' ' ' ARG . 2.9 mt -59.96 -52.69 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 116' ' ' PHE . 2.1 t -47.98 -46.39 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.12 -58.96 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mt -52.79 -29.89 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.498 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 2.7 m -75.63 -28.15 58.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 112' ' ' PRO . . . -73.67 -31.33 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 107' ' ' LEU . 13.0 m -92.9 32.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 2.0 pt-20 -55.55 100.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 39.58 43.53 2.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -88.76 165.12 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.8 p -106.08 155.95 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.427 ' HA ' ' CG2' ' A' ' 144' ' ' THR . . . -45.07 -54.32 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.35 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -47.46 -52.48 16.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 99' ' ' VAL . 5.9 mt -49.43 -46.27 47.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.42 -33.82 76.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.01 -0.61 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 107' ' ' LEU . 1.1 tt0 -134.11 -173.19 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -163.97 128.56 1.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.99 -8.31 19.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 133' ' ' LEU . 14.8 mt -76.32 -28.2 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.07 96.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -50.47 -53.79 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.476 ' CE1' HG11 ' A' ' 94' ' ' VAL . 21.6 m-85 -50.0 -53.75 24.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.53 -38.9 91.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -56.49 21.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 93.0 mt -64.43 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.22 30.88 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 95.8 mt -85.78 -102.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 2.3 ttt-85 39.15 28.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.562 ' HB1' ' CE1' ' A' ' 34' ' ' TYR . . . -67.99 -43.83 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 124' ' ' GLN . 0.4 OUTLIER -73.91 -60.27 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -62.21 85.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -153.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.57 -55.03 6.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.1 t -81.29 -37.98 27.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -22.97 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.6 t -55.7 -28.18 54.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -29.31 48.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.2 -56.2 11.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 125' ' ' LEU . 0.3 OUTLIER -49.84 -46.94 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -43.54 -31.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.66 73.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 133' ' ' LEU . 3.5 mt -64.73 -38.69 91.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.3 t -62.19 -59.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.02 -27.46 32.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.4 90.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.562 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 33.8 mt -75.48 -36.29 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.53 -51.95 67.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.74 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' A' ' 69' ' ' TYR . . . -61.32 -61.6 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.427 ' CG2' ' HA ' ' A' ' 104' ' ' ALA . 12.9 p -51.77 -36.06 46.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -55.13 -30.87 60.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.42 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 71' ' ' VAL . 73.9 t -62.47 -53.62 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.7 -53.02 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.519 0.2 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.45 149.92 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -174.6 95.38 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.75 13.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.446 1.761 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -146.12 -166.69 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -179.46 172.37 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.33 95.0 0.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 6.3 p-80 -165.34 130.84 1.99 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.784 . . . . 0.0 109.574 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -75.07 -79.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 93' ' ' ALA . 7.2 m-85 31.77 91.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.25 -42.1 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -65.75 -56.77 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -114.85 -28.99 6.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 97' ' ' THR . 16.1 m -111.93 90.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.47 164.91 12.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' CB ' ' CD1' ' A' ' 115' ' ' LEU . . . -49.1 -36.41 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 tt0 -71.02 -61.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 m -42.7 -38.47 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 1.4 mt -65.51 -51.66 58.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -21.01 64.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 m-20 -72.41 -34.2 67.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' OE1' ' A' ' 36' ' ' GLN . 85.2 m -77.4 -34.24 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 16.7 m-85 -85.85 -23.66 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -41.89 -53.62 7.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.09 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.8 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.32 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . 15.1 t -75.99 -25.2 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' N ' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -78.81 105.2 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.536 ' CD2' ' NE2' ' A' ' 124' ' ' GLN . 2.8 t90 -44.35 -42.22 6.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.051 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.37 -35.82 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -64.76 -57.09 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -42.78 -63.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.88 -30.9 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -62.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' OE1' ' CG2' ' A' ' 23' ' ' THR . 0.4 OUTLIER -56.41 -18.79 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.02 -38.53 91.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -65.16 -34.4 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.39 -43.99 92.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -45.47 -50.33 12.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.3 -53.42 13.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -38.55 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.86 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 138.99 89.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.47 38.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.03 106.45 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -54.73 127.37 60.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.03 167.83 26.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -43.94 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.0 pt-20 -51.75 -42.98 62.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -33.51 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 mtmt -55.51 -33.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.02 -21.58 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.03 -20.28 45.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.92 -168.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtmm -113.0 150.34 32.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.28 129.05 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' VAL . 8.0 mt -127.22 114.91 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.7 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.58 35.76 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.36 -171.24 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -174.5 -175.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -42.65 144.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' ILE . 96.2 t -138.46 129.5 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.589 ' CZ3' ' HG3' ' A' ' 64' ' ' ARG . 2.5 m-90 -117.78 139.54 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -158.27 134.11 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.39 151.27 21.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' O ' ' CG2' ' A' ' 70' ' ' THR . 30.3 p90 -154.21 160.88 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 20.4 p -157.47 156.37 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.62 140.36 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.28 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.02 69.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -25.02 23.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -22.24 24.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.75 107.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.96 157.52 33.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -140.83 104.15 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.596 ' CD1' ' CG2' ' A' ' 99' ' ' VAL . 69.7 m-85 -84.55 149.49 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 21.5 p90 -165.5 117.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -150.79 -153.03 6.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -170.07 -171.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.01 145.17 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 25.34 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -113.6 176.6 17.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -90.42 -59.42 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 mm -78.98 -44.27 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.0 t -50.07 -37.6 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 92' ' ' LEU . 4.0 ttt180 -61.67 -37.49 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.44 -42.57 27.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CD2' ' CE1' ' A' ' 116' ' ' PHE . 5.6 mt -50.9 -49.47 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.524 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.32 -52.27 28.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.63 ' CB ' ' CE1' ' A' ' 11' ' ' PHE . . . -50.25 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 116' ' ' PHE . 2.2 t -39.74 -46.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.15 -56.45 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.524 ' CD1' ' HG ' ' A' ' 92' ' ' LEU . 1.3 mp -52.58 -30.63 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.8 m -75.03 -27.91 60.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.6 64.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' A' ' 79' ' ' PHE . 17.6 m -95.24 31.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.09 82.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -144.73 159.36 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.9 p -87.11 147.06 25.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.09 -56.01 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.23 -49.43 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -48.23 68.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 99' ' ' VAL . 42.5 mt -54.64 -44.47 73.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -61.44 -34.98 76.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.41 -21.44 59.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.96 103.43 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.41 151.93 94.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -80.41 -22.73 40.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.78 84.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.501 ' CD1' ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.71 -60.16 4.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.585 ' CE1' ' CD2' ' A' ' 91' ' ' LEU . 33.1 m-85 -48.09 -44.11 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.89 -43.63 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -60.8 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.48 -30.0 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.24 41.81 7.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' A' ' 94' ' ' VAL . 21.3 mt -85.25 -45.66 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 1.5 tmm_? -68.8 -25.25 64.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.61 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 30' ' ' TRP . 1.6 tp-100 -74.81 -48.3 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 129' ' ' ARG . 0.3 OUTLIER -47.37 116.38 1.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 m -48.12 173.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.75 -55.51 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.9 t -40.49 -62.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 5.4 mpt_? -62.31 -51.35 68.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 t -47.09 -38.46 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.436 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 10.9 tm0? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -69.23 -28.52 72.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 134' ' ' ASN . 0.1 OUTLIER -65.5 -63.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 131' ' ' GLN . 5.4 p30 -50.03 -33.14 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -63.17 -35.82 81.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 133' ' ' LEU . 9.5 mt -73.78 -35.93 65.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -56.99 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -49.83 -30.2 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.11 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.57 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 36.2 mt -75.05 -41.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 mm -56.08 -52.14 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.19 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -67.87 -56.18 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.466 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 32.5 p -56.53 -41.56 76.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -33.14 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -49.05 22.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.43 -47.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.22 -25.29 66.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.549 0.214 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 m -138.0 63.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -176.95 136.36 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -146.83 132.63 18.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -135.61 177.54 7.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.5 -59.9 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . 60.69 138.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 22.9 m-70 -154.45 153.58 28.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.621 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -69.92 80.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 100' ' ' GLU . . . 176.26 -63.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -108.63 -64.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.6 m -60.34 -40.78 91.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 10' ' ' PRO . 71.6 t -121.49 70.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -89.21 170.66 10.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.393 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 115' ' ' LEU . . . -57.1 -30.99 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.7 tp10 -74.91 -60.11 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.5 m -45.24 -42.81 9.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.4 -35.91 82.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -64.3 -21.1 66.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.78 -36.11 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.24 -35.22 68.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE1' ' CD ' ' A' ' 36' ' ' GLN . 76.7 m-85 -86.14 -22.06 27.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -39.03 -54.55 3.22 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.94 -37.86 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.78 86.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.3 t -84.33 -24.78 29.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.91 118.29 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CE2' ' CB ' ' A' ' 124' ' ' GLN . 18.0 t90 -47.75 -43.31 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -41.48 -30.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 5.8 mttt -46.3 -51.32 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CE2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -62.05 -33.26 74.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.49 -60.9 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.583 ' CD ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -55.06 -31.89 61.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 7.3 mt -52.87 -24.58 9.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.43 HG23 ' CB ' ' A' ' 86' ' ' ARG . 47.0 mt -75.24 -51.05 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 1.8 ptm -54.06 -28.19 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HG2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -45.24 -60.22 2.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.32 -56.66 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -49.97 -32.93 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -46.17 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.83 149.2 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.97 35.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.62 108.33 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 48' ' ' PRO . 12.5 tp -66.43 134.15 94.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 47' ' ' LEU . 18.2 Cg_endo -74.99 153.54 41.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -31.63 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -44.82 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CB ' HD11 ' A' ' 47' ' ' LEU . 1.2 mm? -72.19 -32.94 67.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -53.1 -36.02 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.0 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.74 -25.53 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.8 -169.9 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 1.1 mtmm -120.73 146.02 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -80.88 122.64 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -92.28 175.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.54 67.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.93 29.11 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.89 -178.63 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -25.4 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.96 -168.15 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -59.51 153.49 19.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 t -147.98 164.18 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 31.5 m-90 -135.75 141.19 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.12 133.98 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -141.8 140.62 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 23.1 p90 -153.84 164.73 37.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.8 p -150.31 137.8 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 72' ' ' ALA . 57.7 t -91.15 145.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 71' ' ' VAL . . . -92.79 172.97 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -10.39 32.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -32.36 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.45 -25.99 3.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -44.56 163.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.37 157.81 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -143.69 105.67 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.406 ' CD1' HG23 ' A' ' 99' ' ' VAL . 81.7 m-85 -82.23 154.46 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE1' ' HA3' ' A' ' 68' ' ' GLY . 8.9 p90 -161.03 119.79 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -139.47 -170.31 11.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.464 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -173.63 107.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.472 ' CB ' HG11 ' A' ' 88' ' ' VAL . 29.8 t -83.35 171.23 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -82.83 -38.52 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.92 161.08 54.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -87.8 -31.66 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 0.708 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -73.95 -49.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 83' ' ' SER . 43.5 t -58.68 -52.38 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -43.6 -36.56 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.27 -49.04 28.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 mt -48.69 -53.46 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.26 -46.06 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -45.94 -70.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 t -42.37 -44.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ALA . 10.3 tt -60.81 -56.52 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 2.7 mt -50.31 -30.34 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 2.8 m -76.07 -28.06 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -74.56 -30.3 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 HG13 ' CD2' ' A' ' 107' ' ' LEU . 5.6 m -92.27 31.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' CG ' ' HA2' ' A' ' 12' ' ' GLY . 5.5 tm-20 -55.47 103.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 40.06 36.62 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.92 159.33 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.2 p -100.35 153.38 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.96 -54.8 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.74 -55.6 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -50.17 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.479 ' CD2' HG13 ' A' ' 99' ' ' VAL . 5.5 mt -52.16 -48.91 64.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.91 -34.62 73.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.02 -20.9 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -163.77 118.66 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -68.39 145.65 97.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 18.5 Cg_endo -74.98 0.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.66 -21.27 61.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -59.0 -48.36 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.67 -50.7 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 122' ' ' ARG . 91.2 m-85 -58.6 -62.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.94 -31.86 42.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -50.97 69.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 30.4 mt -75.52 -26.17 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.66 23.97 6.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.1 mt -86.27 -48.57 8.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HB2' ' CB ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -82.1 -18.36 43.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.48 67.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.585 ' CB ' ' CE2' ' A' ' 30' ' ' TRP . 2.7 mp0 -74.51 -12.74 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 122' ' ' ARG . 8.6 mt -66.79 -165.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.21 164.2 25.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.55 -51.61 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.6 t -40.09 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 132' ' ' GLY . 6.4 mmt180 -63.05 -40.77 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.0 t -43.8 -53.45 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER -44.91 -27.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -82.12 -50.57 4.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.38 -26.41 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.55 -50.79 19.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.9 -50.5 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.52 -51.98 67.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.1 t -54.91 -49.0 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.79 -37.08 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.85 68.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.468 ' CG2' HD11 ' A' ' 107' ' ' LEU . 37.9 mt -72.65 -46.47 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.7 mm -50.56 -49.03 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.25 87.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 69' ' ' TYR . . . -59.38 -59.77 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 53.4 p -52.56 -45.96 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -45.53 -33.41 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -62.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.72 -47.04 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.77 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.468 0.175 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -61.12 146.02 48.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -113.53 111.43 49.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.7 26.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -146.01 90.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.55 -179.28 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 67.18 114.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.15 56.3 0.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -48.94 122.36 11.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.16 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 93' ' ' ALA . 25.8 m-85 -71.74 80.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 -37.51 1.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m -78.67 -82.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -95.66 -6.27 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.15 71.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' A' ' 17' ' ' ALA . 5.3 t -101.83 -169.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.568 ' N ' ' CG2' ' A' ' 97' ' ' THR . . . -58.05 -31.83 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 21' ' ' ARG . 19.5 tt0 -70.01 -61.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.3 m -55.47 -40.92 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 97' ' ' THR . 9.1 mt -65.63 -29.34 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 18' ' ' GLU . 8.3 mtm105 -74.55 -19.31 60.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.83 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -71.62 -38.05 70.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.547 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.8 m-85 -87.04 -19.18 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -38.97 -52.7 3.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 -40.16 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.29 82.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -28.83 59.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -73.13 129.79 38.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.68 ' O ' ' CE3' ' A' ' 30' ' ' TRP . 1.8 t-105 -71.53 -31.59 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.98 -12.44 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.06 -58.0 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -51.78 -49.25 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -47.81 -36.76 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -58.2 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -24.11 49.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 121' ' ' LEU . 12.6 mt -54.33 -31.91 55.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.71 -30.4 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttm -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -40.59 -50.08 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.25 -55.42 21.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -42.96 -41.85 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.32 -46.18 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 141.02 81.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.51 38.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.39 100.67 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 114.45 8.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.6 42.64 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -46.08 -35.4 4.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.0 tp10 -53.87 -53.15 56.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -74.88 -33.92 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.521 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 6.0 mttt -63.33 -33.79 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.99 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -83.24 -5.75 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.95 179.39 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.3 153.07 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 136.97 33.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' VAL . 19.3 mt -136.43 139.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.33 40.05 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -135.89 -47.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 1.4 mt-10 176.07 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.41 ' CG ' ' OE2' ' A' ' 84' ' ' GLU . 40.5 m-80 -155.66 -173.32 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -49.63 141.37 9.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 64' ' ' ARG . 54.1 t -143.85 118.31 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 19.9 m-90 -110.91 132.17 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.62 134.94 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -135.16 149.0 19.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.0 p90 -166.11 165.24 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 69' ' ' TYR . 6.1 p -159.11 142.28 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 77' ' ' MET . 73.9 t -84.27 136.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.83 169.42 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -65.14 -11.38 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -16.03 15.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.67 -38.01 3.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.496 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -83.65 162.68 20.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -137.68 103.91 5.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 53.9 m-85 -90.86 148.64 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 53.1 p90 -165.41 175.48 9.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 155.37 -157.08 27.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 8.4 p-10 -164.86 177.83 7.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.435 ' CB ' HG11 ' A' ' 88' ' ' VAL . 2.0 t -155.13 158.14 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -83.37 -30.89 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.13 48.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -83.31 -51.17 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.2 mm -65.29 -53.6 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 83' ' ' SER . 78.1 t -50.37 -44.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -47.39 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.17 -46.09 52.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 116' ' ' PHE . 13.1 mt -47.45 -27.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 98.0 mt -65.21 -59.93 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.506 ' CB ' ' CD1' ' A' ' 40' ' ' LEU . . . -39.65 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.596 HG12 ' CZ ' ' A' ' 116' ' ' PHE . 24.2 t -42.43 -42.7 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -61.24 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 92' ' ' LEU . 1.7 mm? -53.38 -29.5 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.568 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.17 -35.25 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.3 99.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 107' ' ' LEU . 16.9 m -90.59 33.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.39 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.55 80.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -144.19 157.12 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -77.38 146.44 36.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.56 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.52 -55.32 33.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.02 -44.47 30.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 99' ' ' VAL . 78.9 mt -53.94 -47.02 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.34 -17.64 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.32 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 107' ' ' LEU . 7.7 tt0 -137.78 119.63 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.7 m -65.97 127.75 93.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.18 15.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.66 -22.26 65.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.374 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -54.28 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.15 -57.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.596 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 95.8 m-85 -50.64 -58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.22 -40.6 71.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.11 55.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.11 -1.04 24.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.617 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . . . 50.18 33.19 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.595 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 7.6 mt -79.31 3.32 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.43 ' CG ' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -154.18 25.16 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.04 -16.01 38.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -15.07 59.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.99 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 m -164.71 176.07 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.02 -25.4 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -63.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.96 -22.23 36.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.92 -45.07 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -17.48 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.91 -53.79 3.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.77 -34.48 69.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -64.15 -54.35 35.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.16 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 30.0 t -62.72 -48.77 77.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.59 -38.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.74 82.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 26.4 mt -72.62 -37.11 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 -54.22 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.04 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.1 -58.14 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.0 p -55.77 -42.8 76.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -37.04 63.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -42.44 56.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.63 -36.47 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.85 -28.17 63.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 2.5 p80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -75.02 -85.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 44' ' ' LEU . 2.7 m-85 33.53 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.16 -55.77 1.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -51.07 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -117.87 -11.65 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 15' ' ' VAL . 54.6 t -116.44 70.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.52 154.32 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -46.9 -29.12 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' ARG . 12.9 tp10 -74.39 -57.57 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -47.1 -40.31 15.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 94' ' ' VAL . 11.8 mt -65.27 -36.37 83.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.682 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.37 -29.72 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.8 m -77.58 -41.0 40.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 121' ' ' LEU . 20.5 m-85 -86.12 -20.35 28.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.865 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.64 -55.36 3.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.865 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.8 mt -72.52 91.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 t -88.58 -20.71 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.5 125.66 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -53.44 -41.39 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -44.1 -39.56 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.91 -54.97 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -47.77 -56.01 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -60.22 -30.25 69.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.23 -61.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 -34.03 66.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.089 HD11 HD22 ' A' ' 121' ' ' LEU . 12.7 mt -52.11 -42.05 62.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -56.84 -45.83 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.4 mtt -65.4 -28.66 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD22 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -56.05 -38.84 71.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.67 -50.75 46.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.36 -45.09 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.29 -44.98 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 11' ' ' PHE . 4.4 mp -57.44 144.26 72.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.14 40.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.46 115.75 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 tp -66.38 114.58 17.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.13 27.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.36 -42.76 96.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.4 tp10 -50.34 -44.03 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -35.08 64.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -54.45 -36.6 64.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.0 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.27 -19.53 53.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 176.68 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.19 151.56 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 135.87 33.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 65' ' ' VAL . 2.9 mt -133.31 108.97 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.7 42.51 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.72 34.4 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -141.57 -175.6 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -42.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 t-20 -158.31 -175.14 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.68 147.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 63' ' ' ASN . 25.4 t -148.76 123.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -115.66 133.72 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -151.7 142.48 22.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.06 150.7 21.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.75 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 27.2 p90 -157.19 173.12 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 69' ' ' TYR . 2.8 p -154.45 139.37 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.797 HG12 ' HA2' ' A' ' 75' ' ' GLY . 1.4 t -81.27 129.65 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.05 -170.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.06 -48.01 80.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -79.61 -28.17 41.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 129.8 -17.14 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.474 ' HG3' HG13 ' A' ' 71' ' ' VAL . 9.1 mtp -79.16 150.54 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.88 111.48 14.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.54 149.01 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 46.1 p90 -165.56 123.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.47 -159.36 12.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -168.57 -175.32 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.4 t -158.47 163.37 37.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.04 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.4 110.44 3.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.83 -49.68 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 88' ' ' VAL . 5.6 tp -50.1 -57.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.56 ' N ' HG23 ' A' ' 87' ' ' ILE . 84.3 t -56.05 -46.8 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -48.51 -50.71 30.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.06 -46.24 94.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HE1' ' A' ' 116' ' ' PHE . 1.4 mt -47.24 -46.5 24.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 96' ' ' LEU . 22.3 mt -48.36 -51.77 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -40.81 -66.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.5 t -44.73 -46.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.88 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.07 -30.69 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' VAL . 96.1 m -74.94 -43.53 53.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -62.14 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.728 HG12 HD21 ' A' ' 107' ' ' LEU . 30.5 m -99.46 28.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.15 47.86 10.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 10.5 mttm -94.83 157.9 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ALA . 61.9 p -97.37 148.77 22.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -39.41 -56.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.66 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -54.01 4.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 140' ' ' ILE . 1.7 mt -47.29 -52.61 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.0 -29.17 70.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.04 -17.78 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -162.53 115.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.6 m -66.59 148.74 98.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -4.33 15.23 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 137' ' ' SER . 6.5 mt -75.75 -17.71 59.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.85 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -53.01 -56.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.627 ' HE1' HD23 ' A' ' 91' ' ' LEU . 30.1 m-85 -47.42 -48.41 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -67.55 -48.33 67.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -51.81 56.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 115' ' ' LEU . 60.5 mt -75.49 -23.06 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.49 25.67 49.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.089 HD22 HD11 ' A' ' 37' ' ' LEU . 33.1 mt -85.52 10.15 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 133' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.3 -56.87 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.55 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 2.7 mt -48.81 -59.08 3.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 140' ' ' ILE . 7.7 t -52.2 -51.31 58.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -36.09 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -49.95 -37.49 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 107' ' ' LEU . 4.4 mt -73.86 -57.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 141' ' ' ILE . 6.0 mm -42.72 -42.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.75 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -66.58 -53.62 32.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.416 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 42.3 p -50.06 -34.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -63.33 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -48.8 21.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.23 -42.63 96.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -52.15 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.182 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 3.7 p80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -74.98 -35.79 2.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 3.0 p90 -53.79 88.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 16' ' ' THR . . . 159.56 -65.1 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -88.4 -70.65 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -70.72 -35.88 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 15' ' ' VAL . 40.8 t -116.01 76.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -90.98 156.89 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -48.07 -25.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -83.73 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -44.4 -31.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 94' ' ' VAL . 6.4 mt -65.51 -51.94 56.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -67.7 -18.34 64.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.3 t30 -73.31 -30.96 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -85.04 -33.55 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.34 -24.26 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.815 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.45 -53.36 4.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 -40.85 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.49 87.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -82.12 -22.85 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 31' ' ' GLU . 2.5 mt-30 -78.86 104.81 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -43.71 -31.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -51.86 -43.69 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' ARG . 34.5 m-20 -64.79 -55.39 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -56.1 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -27.01 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -74.72 -64.46 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -31.5 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 HD22 ' A' ' 121' ' ' LEU . 13.3 mt -58.09 -36.62 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' A' ' 86' ' ' ARG . 61.9 mt -67.31 -36.49 76.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.07 -30.0 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -74.82 -44.6 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -55.71 -38.33 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.91 -45.82 91.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.91 144.63 74.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 163.98 34.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.13 116.95 15.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 ' OD2' ' A' ' 82' ' ' ASP . 26.9 tp -70.3 114.52 26.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.06 156.89 42.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.94 -44.86 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 5.0 tp10 -49.29 -46.48 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.67 -37.73 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -56.31 -37.84 70.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.34 -19.51 61.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -84.84 -13.96 49.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -101.9 -173.18 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.03 150.96 38.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -84.77 120.86 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 2.9 mm -86.75 154.16 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.63 101.02 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.96 -25.11 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.0 OUTLIER -75.08 -176.48 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.72 -20.06 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.529 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.2 m120 -170.23 -174.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 17.9 ptp180 -65.63 118.23 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.0 t -116.46 139.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.43 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 28.2 m-90 -107.4 135.22 49.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.539 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 tt -144.9 141.87 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.62 140.26 9.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 143' ' ' ALA . 7.2 p90 -145.9 161.2 40.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 69' ' ' TYR . 7.1 p -156.65 177.0 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -126.29 139.19 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . . . -95.23 -170.02 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.39 -28.94 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' OD1' ' HB3' ' A' ' 72' ' ' ALA . 15.2 p30 -94.51 -24.08 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.457 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 112.44 -19.37 22.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.6 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -71.52 154.21 41.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -137.14 104.39 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.579 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 96' ' ' LEU . 64.5 m-85 -88.23 146.76 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -164.85 125.78 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -155.93 -148.06 4.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.579 ' OD2' HD23 ' A' ' 47' ' ' LEU . 51.8 p-10 -168.8 -168.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.784 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 92' ' ' LEU . 6.5 t -164.06 158.45 19.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 1.2 pp20? -85.02 -21.19 29.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.79 118.16 5.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.717 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.82 -54.32 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.615 HG23 ' H ' ' A' ' 88' ' ' VAL . 6.2 tp -46.43 -61.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.615 ' H ' HG23 ' A' ' 87' ' ' ILE . 62.2 t -55.57 -42.82 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.8 ttt180 -52.52 -31.84 37.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.27 -47.22 7.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.711 HD13 ' HE ' ' A' ' 122' ' ' ARG . 18.9 mt -49.97 -45.83 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.6 mt -55.2 -52.37 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.03 -54.16 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.661 HG22 HD13 ' A' ' 20' ' ' LEU . 1.2 t -57.19 -39.03 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -65.36 -56.03 14.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -55.02 -28.78 54.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.5 m -69.98 -26.43 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -72.43 -35.6 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.822 HG12 HD22 ' A' ' 107' ' ' LEU . 19.6 m -99.55 31.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 1.1 tm-20 -55.59 95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.01 78.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.49 163.84 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -80.31 146.58 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.635 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.94 -56.98 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.03 -54.09 14.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -38.59 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.822 HD22 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -62.86 -41.78 99.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.502 HE21 HG23 ' A' ' 141' ' ' ILE . 62.4 mt-30 -71.59 -24.8 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.32 -26.96 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -115.21 113.36 23.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 21.8 m -65.51 115.78 25.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.422 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.98 -16.9 20.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 133' ' ' LEU . 13.3 mt -84.38 -36.12 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -41.48 -36.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.721 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -56.47 -56.44 21.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLY . 16.7 m-85 -49.61 -48.96 48.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.08 -43.48 87.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -48.2 82.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 115' ' ' LEU . 21.1 mt -74.76 -31.14 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 79.12 40.78 15.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 37' ' ' LEU . 25.5 mt -85.68 -59.04 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.711 ' HE ' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 113' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 8.6 p30 -57.92 -34.93 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -59.25 -43.49 92.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.618 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.8 mt -62.38 -44.05 97.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.3 OUTLIER -64.2 -50.27 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.9 mm-40 -41.92 -37.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.15 71.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 144' ' ' THR . 33.5 mt -75.0 -45.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 141' ' ' ILE . 3.6 mm -55.1 -44.77 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.49 79.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.23 -43.61 66.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 140' ' ' ILE . 69.5 p -64.83 -49.66 69.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -46.45 -35.17 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -56.55 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.77 -49.78 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.95 -56.4 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 17.8 p80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' HIS . 18.2 Cg_endo -75.02 -15.44 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.822 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.7 m-30 -67.19 76.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' THR . . . 164.37 -60.04 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.5 m -90.3 -76.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -61.13 -44.63 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 15' ' ' VAL . 23.5 t -109.17 79.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -88.51 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -61.44 -29.79 70.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.4 tt0 -75.6 -60.56 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -46.05 -39.0 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 HG13 ' A' ' 15' ' ' VAL . 11.3 mt -65.16 -39.63 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -61.53 -19.58 62.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -79.77 -33.24 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -85.85 -21.96 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.41 -55.08 5.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 -42.11 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 48.3 mt -68.69 87.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -87.62 -23.65 24.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.79 123.65 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.96 -40.07 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.34 -45.99 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 82.3 m-20 -65.04 -55.88 16.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -43.52 -55.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -60.23 -36.34 77.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -67.57 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -55.09 -34.18 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -53.13 -41.64 65.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 35' ' ' ARG . 7.1 mt -56.57 -40.8 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.62 -41.19 92.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -45.7 -42.05 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -69.33 -49.41 39.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -43.11 -39.99 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -57.7 -44.92 86.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.822 HD13 ' HE2' ' A' ' 11' ' ' PHE . 16.1 tp -51.94 136.48 37.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 149.83 37.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 102.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.94 112.83 4.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.42 -22.48 66.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -52.32 52.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -31.71 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HG2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -57.62 -33.57 68.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.49 -20.67 58.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.74 -17.41 35.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.03 179.91 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.21 150.94 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.74 134.48 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.1 mt -137.01 137.65 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.83 101.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 135' ' ' ALA . . . 169.95 40.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -134.53 -53.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER 167.72 -31.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-80 -147.22 173.9 12.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -41.9 150.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.9 t -145.22 138.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 11.2 m-90 -136.79 98.28 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -97.82 138.26 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -147.05 141.62 9.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.517 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 20.9 p90 -160.02 164.14 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -147.12 141.56 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 138.39 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.56 -177.32 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -64.86 -50.13 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -68.66 -26.26 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.29 -24.53 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.09 106.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.555 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -85.87 163.14 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -142.45 104.18 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 109.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 65.7 m-85 -85.08 155.3 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.799 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.3 p90 -166.53 163.87 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.53 ' O ' HD21 ' A' ' 92' ' ' LEU . . . 162.4 -160.15 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.931 ' OD1' HD22 ' A' ' 47' ' ' LEU . 18.5 p-10 -164.36 -173.75 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -169.73 159.88 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -38.34 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -59.58 123.28 32.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -59.23 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.724 HD13 ' CD1' ' A' ' 34' ' ' TYR . 4.4 tp -61.95 -50.23 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.2 t -52.24 -32.88 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.9 ttt-85 -63.79 -59.83 4.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.07 -36.21 91.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 116' ' ' PHE . 4.3 mt -58.25 -35.76 72.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 81' ' ' GLY . 2.9 tp -65.08 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.89 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 121' ' ' LEU . 2.6 t -41.02 -39.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.6 tt -60.63 -56.25 23.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' PHE . 7.0 mp -53.09 -29.16 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 16' ' ' THR . 96.9 m -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.12 69.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.896 HG12 HD22 ' A' ' 107' ' ' LEU . 30.2 m -94.7 31.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.3 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 49.67 76.87 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -144.74 156.81 44.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.4 p -83.26 146.42 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.848 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.31 -50.54 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.63 -67.47 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -48.07 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.896 HD22 HG12 ' A' ' 99' ' ' VAL . 43.3 mt -51.76 -44.98 63.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -75.07 -24.02 58.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -149.37 117.36 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.0 p -60.23 135.93 91.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -13.51 21.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 133' ' ' LEU . 17.8 mt -67.74 -32.1 72.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.89 -52.07 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -51.79 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.595 ' CE1' HG12 ' A' ' 94' ' ' VAL . 79.0 m-85 -45.22 -49.07 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.28 -37.15 84.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -43.98 92.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 53.2 mt -74.68 -22.36 58.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.49 36.36 6.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 37' ' ' LEU . 32.8 mt -85.07 -55.92 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 133' ' ' LEU . 2.4 tmm_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.12 -37.98 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 60' ' ' GLY . . . -58.04 -53.95 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 7.9 mt -62.98 -36.97 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.748 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.4 t -60.48 -57.32 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.58 -26.75 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.13 -49.66 75.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 1.011 ' O ' HG23 ' A' ' 144' ' ' THR . 76.9 mt -63.89 -44.65 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.7 mm -54.06 -59.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.93 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -69.45 -50.17 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 140' ' ' ILE . 35.7 p -59.27 -44.53 92.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.93 -36.02 26.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.03 -36.47 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 143' ' ' ALA . 48.6 t -72.05 -53.08 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -50.09 -52.39 35.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 27.2 p-80 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.38 20.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.057 ' CE2' HD13 ' A' ' 44' ' ' LEU . 3.0 m-30 -70.7 83.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.78 -54.59 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -101.34 -70.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.731 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -66.01 -49.91 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.714 HG13 HD21 ' A' ' 20' ' ' LEU . 36.1 t -98.2 102.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.569 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -114.68 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.998 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.07 -34.33 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.55 -61.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.5 m -47.59 -43.78 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD21 HG13 ' A' ' 15' ' ' VAL . 41.9 mt -64.96 -36.77 85.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -65.19 -32.37 74.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 m -83.97 -32.78 24.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 53.5 m-85 -86.58 -19.61 29.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.75 -54.42 3.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 mt -71.76 93.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -94.53 -20.46 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -88.55 131.06 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 121' ' ' LEU . 8.1 t90 -55.39 -46.07 76.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.985 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -39.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.65 -52.39 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 mttt -48.84 -56.51 8.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.725 ' CE1' HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -58.0 -28.09 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.66 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.82 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 121' ' ' LEU . 10.9 mt -61.87 -35.56 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.452 HD13 HD12 ' A' ' 87' ' ' ILE . 10.6 mm -63.32 -36.09 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.9 mtt -67.56 -44.04 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -43.09 -49.93 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -59.6 -60.29 9.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 13.8 mttm -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.9 -47.56 52.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.057 HD13 ' CE2' ' A' ' 11' ' ' PHE . 7.9 tp -54.21 136.89 59.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.95 157.16 43.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.44 106.42 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.636 HD13 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.78 108.67 1.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -65.55 -26.22 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.3 tp10 -62.51 -51.38 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.22 -32.21 62.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' CD1' ' A' ' 66' ' ' TRP . 2.2 mtmt -60.11 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.67 -23.68 56.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.6 mp0 -92.98 15.0 15.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.43 175.3 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 3.0 mtmm -109.21 149.12 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -81.62 128.99 34.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.91 101.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.56 38.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.14 -4.49 27.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.482 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.2 m -97.6 -178.93 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.64 ' HB2' HG21 ' A' ' 88' ' ' VAL . 3.6 mm-40 -46.34 -32.69 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.87 -165.86 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -54.02 151.64 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 61' ' ' CYS . 70.6 t -152.8 125.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 19.8 m-90 -118.47 98.6 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.6 137.66 43.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.2 142.39 11.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.471 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 7.8 p90 -150.97 174.3 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 69' ' ' TYR . 17.2 p -154.15 150.15 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 72' ' ' ALA . 47.7 t -107.44 163.33 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.455 ' N ' HG12 ' A' ' 71' ' ' VAL . . . -143.14 178.35 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.42 -52.21 48.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.43 -24.17 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -20.9 46.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.24 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.607 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -80.2 158.85 26.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -139.77 104.23 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.607 ' CZ ' ' SD ' ' A' ' 77' ' ' MET . 77.2 m-85 -84.75 151.04 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 26.8 p90 -165.59 118.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 66' ' ' TRP . . . -156.01 -160.42 9.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.636 ' OD1' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -164.2 -175.07 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -164.83 158.68 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.72 -45.54 24.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -46.44 163.89 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -88.84 -56.3 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' CE1' ' A' ' 34' ' ' TYR . 1.9 tp -70.51 -51.09 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 62' ' ' GLU . 97.2 t -46.95 -36.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -58.19 -58.28 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -60.79 -47.4 91.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.741 HD23 ' CE2' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -47.4 -45.39 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.36 -38.35 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -58.79 -65.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.555 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -39.15 -41.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -59.44 -55.76 30.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.1 mp -54.6 -29.29 51.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -72.54 -29.07 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.8 -37.13 65.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.791 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -96.49 32.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 96.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 44.26 78.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -144.6 163.48 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -85.66 146.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -43.57 -50.15 7.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.53 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -51.45 54.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.791 HD22 HG12 ' A' ' 99' ' ' VAL . 4.4 mt -49.32 -42.29 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 141' ' ' ILE . 4.4 mt-30 -72.44 -27.86 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.0 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.14 110.43 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -65.81 135.97 95.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.4 mt -75.31 -24.23 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.26 -53.5 55.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.36 -61.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 91' ' ' LEU . 95.0 m-85 -46.22 -55.92 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.24 -34.5 70.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -52.4 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 24' ' ' PHE . 77.4 mt -72.39 -28.7 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.98 42.9 7.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 94' ' ' VAL . 14.9 mt -84.67 -57.03 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 133' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.19 -44.8 79.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -51.8 -43.04 62.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.502 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 11.1 mt -68.9 -38.69 79.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 t -66.27 -59.79 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.2 pt-20 -49.7 -29.82 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.9 -44.45 86.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 1.019 ' O ' HG23 ' A' ' 144' ' ' THR . 38.5 mt -74.69 -35.02 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 108' ' ' GLN . 24.6 mm -63.64 -48.45 86.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.61 -50.86 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 140' ' ' ILE . 80.5 p -56.72 -43.8 80.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.62 -33.13 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -57.85 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 71' ' ' VAL . 66.7 t -54.74 -54.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 148' ' ' LEU . 3.1 mt -46.16 -53.66 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.618 ' CE1' HD11 ' A' ' 44' ' ' LEU . 57.6 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.584 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.01 -10.42 21.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 18.2 m-30 -72.06 95.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 97' ' ' THR . . . 125.77 -31.71 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -89.85 -76.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -38.97 72.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 10' ' ' PRO . 29.3 m -110.67 119.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.61 170.01 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.977 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.92 -26.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 1.9 tt0 -76.88 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -57.18 -36.38 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.912 ' CD1' HG21 ' A' ' 97' ' ' THR . 0.5 OUTLIER -61.05 -56.94 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 10.7 ptp180 -62.14 -17.83 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -32.41 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -85.21 -34.63 21.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m-85 -84.8 -27.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.62 -54.95 2.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.98 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt -64.33 86.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -81.52 -25.05 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' ASP . 4.6 mt-30 -75.57 110.22 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -46.17 -31.87 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.1 70.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLN . 33.7 m-20 -66.17 -57.16 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 6.6 mttt -44.89 -60.04 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.738 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -57.28 -21.86 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.63 -67.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -29.59 56.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 121' ' ' LEU . 9.6 mt -51.26 -51.42 54.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.3 mp -49.41 -39.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -26.73 60.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -24.47 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 -45.77 6.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -47.27 -46.93 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.03 -47.78 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD11 ' CE1' ' A' ' 9' ' ' HIS . 20.5 tp -54.28 138.5 57.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.99 156.09 42.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.25 100.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -64.85 114.01 13.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.02 146.02 32.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.33 -33.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.2 tp10 -54.99 -46.31 75.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -72.93 -42.1 63.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -53.29 -36.68 61.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.42 -22.81 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.25 -19.19 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.755 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.49 -178.15 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -99.83 144.36 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 7.2 tp10 -82.59 126.09 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' VAL . 5.0 mt -124.02 137.95 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 41.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.76 44.95 1.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -150.47 -178.12 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -38.93 -39.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 65' ' ' VAL . 19.0 m-20 -157.46 179.72 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.14 147.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.1 t -144.6 148.96 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.548 ' CE2' ' OE1' ' A' ' 57' ' ' GLU . 9.2 m-90 -143.22 136.3 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.755 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -148.96 138.02 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.17 138.19 7.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.835 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 41.1 p90 -153.54 171.71 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 69' ' ' TYR . 3.1 p -158.09 140.39 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.699 HG22 ' CG ' ' A' ' 77' ' ' MET . 4.7 t -90.16 127.29 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.22 -170.25 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.82 -49.99 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -66.37 -30.95 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 119.78 -26.55 7.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 104.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.699 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.6 mtp -83.3 154.66 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -134.58 109.43 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.613 ' CD1' HG21 ' A' ' 99' ' ' VAL . 51.2 m-85 -92.99 148.59 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.68 112.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -143.62 -153.37 5.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 5.1 p-10 -166.14 -176.6 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -171.32 163.54 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.05 -41.93 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.26 112.67 5.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -41.51 26.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -67.54 -39.76 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.1 t -67.06 -54.5 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.1 ttt180 -47.17 -42.54 19.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.57 -45.53 45.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 116' ' ' PHE . 6.8 mt -50.19 -49.72 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.4 mt -46.67 -47.17 20.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -41.93 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 121' ' ' LEU . 2.5 t -45.84 -48.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 95' ' ' LEU . 9.3 tt -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 99' ' ' VAL . 2.4 mp -52.4 -28.71 20.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.912 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.0 m -75.75 -38.01 58.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -66.68 -31.21 71.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 107' ' ' LEU . 5.3 m -94.41 33.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.27 45.84 21.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -94.39 168.46 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 154.03 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -46.42 -52.31 13.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.9 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.6 -46.35 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.002 HD21 HG12 ' A' ' 99' ' ' VAL . 8.9 mt -53.8 -53.17 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.476 ' OE1' HD12 ' A' ' 148' ' ' LEU . 46.5 mt-30 -62.98 -26.89 69.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.28 45.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -151.49 111.64 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.5 m -71.88 150.38 92.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.74 12.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.37 -25.66 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -61.29 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.977 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -40.89 -58.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.64 ' CE2' HG12 ' A' ' 94' ' ' VAL . 88.8 m-85 -48.91 -58.24 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.29 -41.9 76.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.16 81.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 73.5 mt -75.41 -13.95 60.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.31 16.24 64.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 94' ' ' VAL . 52.9 mt -82.88 -2.37 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.64 -58.57 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.22 -56.31 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 65' ' ' VAL . 2.5 mt -47.38 -53.9 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.0 t -59.13 -51.46 69.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.48 -36.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.42 -41.37 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 137' ' ' SER . 15.2 mt -75.44 -38.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.8 mm -55.04 -50.54 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.01 82.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.835 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.12 -60.13 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 104' ' ' ALA . 20.1 p -51.34 -43.55 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -49.35 -36.63 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -45.3 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.92 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.476 HD12 ' OE1' ' A' ' 108' ' ' GLN . 3.1 mt -42.5 -49.72 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 5.7 p80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 6.6 p90 -54.8 120.9 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 16' ' ' THR . . . 122.59 -49.43 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -108.08 -76.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 -30.26 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 15' ' ' VAL . 5.8 t -122.66 72.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -89.66 155.58 19.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.736 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -45.89 -31.44 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' ASN . 1.1 tt0 -72.46 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.0 m -43.14 -39.08 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 40' ' ' LEU . 5.9 mt -65.43 -49.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.528 ' CB ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -70.34 -19.15 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 t-20 -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -84.05 -33.17 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 121' ' ' LEU . 18.9 m-85 -86.05 -21.22 27.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.97 -55.22 3.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 31.8 mt -62.33 91.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 m -89.9 -20.91 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.73 123.03 29.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.71 -36.6 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -34.43 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 78.7 m-20 -76.75 -55.76 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 3.8 mtmt -50.01 -62.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.435 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.86 -33.67 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -61.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -18.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.832 HD21 HD13 ' A' ' 121' ' ' LEU . 10.8 mt -63.2 -49.23 75.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 mt -52.95 -32.38 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.94 -39.08 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -46.64 -28.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.13 -39.15 9.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -53.05 -41.73 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.8 -50.94 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' LEU . 5.6 tp -53.97 140.0 52.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.0 159.21 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 115.25 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 51' ' ' LEU . 11.6 tp -74.51 114.05 30.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.6 t0 -63.17 -52.56 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -43.72 -40.91 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -73.93 -38.72 64.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 3.5 mtmp? -54.36 -35.45 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.74 -20.55 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 5.49 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -134.19 -178.79 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 9.1 mtmm -104.69 136.79 43.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 57' ' ' GLU . 3.8 tp10 -79.54 125.6 29.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 2.8 mt -117.29 136.98 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.41 106.44 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.77 -35.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLU . 1.1 m -74.34 -169.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' CYS . 2.3 mm-40 -37.23 -48.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 m120 -150.81 166.75 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -44.18 151.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 83' ' ' SER . 9.5 t -145.09 165.59 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 52' ' ' LYS . 27.5 m-90 -141.44 141.95 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 107.961 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.496 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -148.7 132.43 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -141.31 141.62 11.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 70' ' ' THR . 27.6 p90 -155.14 172.59 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 69' ' ' TYR . 8.9 p -158.54 139.24 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.41 133.03 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 76' ' ' LYS . . . -78.13 -178.24 5.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.11 -34.45 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -91.6 -26.44 18.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.77 -28.67 3.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -44.98 102.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -83.49 163.05 20.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 1.7 m-70 -139.72 104.72 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 99' ' ' VAL . 75.5 m-85 -85.12 153.72 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 29.3 p90 -164.95 119.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.51 175.32 31.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' GLY . 1.9 m-20 -167.45 122.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -85.96 171.44 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -30.76 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.26 171.93 52.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -54.76 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 91' ' ' LEU . 4.9 mm -53.3 -58.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.88 -34.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -57.01 -58.03 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -63.01 -42.71 99.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 116' ' ' PHE . 5.1 mt -47.33 -41.35 19.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.51 -48.0 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.783 ' HB3' HD12 ' A' ' 40' ' ' LEU . . . -39.5 -59.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 121' ' ' LEU . 2.7 t -48.55 -43.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -63.49 -56.53 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.569 ' CD1' HD21 ' A' ' 92' ' ' LEU . 19.0 mt -49.36 -32.56 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 21.4 m -75.36 -28.9 59.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -70.75 -23.94 62.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 107' ' ' LEU . 16.6 m -103.61 29.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -55.14 102.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.55 42.51 0.67 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.17 161.14 14.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.2 p -96.88 147.81 23.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -40.03 -56.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.39 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -45.61 -51.79 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 99' ' ' VAL . 40.3 mt -48.2 -56.7 7.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.67 -21.18 62.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -80.41 -26.81 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.62 114.83 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 90.4 p -65.03 136.94 96.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.02 -11.34 21.43 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 137' ' ' SER . 5.3 mt -76.39 -19.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -57.16 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.736 HD21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.87 -59.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 120' ' ' GLY . 86.6 m-85 -45.42 -55.0 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.16 -49.03 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -48.21 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.734 HD11 HD23 ' A' ' 115' ' ' LEU . 16.7 mt -75.15 -28.52 60.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 83.86 29.35 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.915 HD11 ' CE2' ' A' ' 24' ' ' PHE . 80.0 mt -84.79 -13.54 50.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.456 HD22 HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -64.93 -34.77 79.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 19.5 mt -76.48 -45.18 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.72 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.9 t -65.44 -51.59 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -52.22 -30.84 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.19 -39.09 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.83 ' CG2' HD13 ' A' ' 107' ' ' LEU . 14.4 mt -75.23 -40.19 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.36 -53.28 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.48 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.564 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -58.35 -59.3 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 140' ' ' ILE . 44.1 p -55.62 -46.7 77.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.9 -33.95 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.51 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.73 -52.63 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.4 mt -47.66 -58.03 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 7.1 p80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 8.0 p90 -54.87 121.2 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.36 -42.28 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.6 m -75.43 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -115.36 -33.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 40' ' ' LEU . 54.1 t -99.37 71.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -80.15 158.53 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.813 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -51.72 -26.06 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.5 tp10 -80.06 -59.2 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 m -45.8 -35.08 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.89 -39.64 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -68.72 -25.37 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -70.53 -33.04 70.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -80.46 -33.88 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.797 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.0 m-85 -85.17 -27.56 26.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.4 -54.83 4.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 50.5 mt -70.04 99.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' PRO . 42.8 p -97.86 -18.23 18.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.68 120.88 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.494 ' CZ2' ' CE1' ' A' ' 34' ' ' TYR . 7.6 t90 -45.4 -50.06 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -38.16 -37.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 67.6 m-20 -70.87 -57.07 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.52 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE1' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -56.06 -30.05 61.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.71 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.916 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -56.49 -36.86 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.908 HD11 HD22 ' A' ' 121' ' ' LEU . 23.8 mt -49.53 -35.97 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 86' ' ' ARG . 31.4 mt -66.58 -41.87 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttp -61.16 -41.52 96.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -42.97 -48.45 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.55 -47.8 89.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -51.4 -41.87 61.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.48 -41.08 84.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HD21 ' A' ' 92' ' ' LEU . 8.1 mp -58.65 142.44 83.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.45 35.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.43 97.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.955 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.09 119.27 47.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.76 36.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.13 -27.11 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 tp10 -62.51 -45.27 93.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -28.55 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -60.03 -35.45 75.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -14.24 60.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -87.17 -20.51 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.847 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -103.99 -170.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -108.89 152.14 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 133.88 34.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.9 mt -134.91 147.46 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.58 68.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -142.63 12.84 2.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.61 -50.64 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.08 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 65' ' ' VAL . 9.1 m-20 -147.43 -177.21 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -45.27 136.83 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 63' ' ' ASN . 68.8 t -138.16 123.26 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 13.3 m-90 -115.53 134.22 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.847 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -149.22 133.28 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.49 139.64 10.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -148.27 164.1 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' MET . 40.3 p -146.4 157.71 43.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 77' ' ' MET . 13.6 t -116.18 162.6 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.61 -177.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.67 -53.31 40.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -65.97 -18.26 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 86.3 -16.36 44.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -50.07 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -75.32 159.78 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.88 104.59 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 96' ' ' LEU . 80.5 m-85 -84.22 145.86 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -165.18 125.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -162.62 -155.5 8.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.955 ' OD1' HD22 ' A' ' 47' ' ' LEU . 5.9 p-10 -166.05 -175.81 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.79 160.84 20.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -44.89 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.68 124.71 33.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.545 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.1 mtm180 -53.91 -59.2 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.485 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.01 -42.86 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.38 -47.32 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.671 ' O ' HD23 ' A' ' 92' ' ' LEU . 8.4 ttm180 -57.04 -60.1 4.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -48.69 -41.11 26.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.116 HD22 HD11 ' A' ' 133' ' ' LEU . 1.8 mt -56.58 -52.27 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.9 -42.41 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -50.16 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 121' ' ' LEU . 4.5 t -39.34 -48.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 140' ' ' ILE . 9.5 tt -52.3 -51.78 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -61.19 -27.87 68.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 53.9 m -75.06 -27.22 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -34.42 61.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.975 HG12 HD22 ' A' ' 107' ' ' LEU . 27.4 m -101.86 32.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 94.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.47 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -144.41 168.08 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.1 p -88.18 147.54 24.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.725 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -45.73 -55.43 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.98 -54.76 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -51.86 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.975 HD22 HG12 ' A' ' 99' ' ' VAL . 21.6 mt -49.75 -49.51 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.18 -30.0 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.22 -18.08 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -144.8 104.39 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -64.58 145.03 98.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -22.93 14.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.2 mt -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -46.28 -52.25 12.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.24 -59.87 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.627 ' CE1' HD23 ' A' ' 91' ' ' LEU . 78.9 m-85 -47.47 -49.98 24.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -63.72 -43.98 94.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.52 84.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.797 HD22 ' HD2' ' A' ' 24' ' ' PHE . 88.2 mt -74.99 -27.85 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.93 31.07 7.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 37' ' ' LEU . 15.0 mt -86.25 -53.99 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 1.116 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -38.21 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -63.82 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.524 HD21 HG11 ' A' ' 65' ' ' VAL . 54.5 mt -40.57 -37.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.804 ' HB2' HD21 ' A' ' 113' ' ' LEU . 42.4 t -65.79 -69.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 5.7 pt-20 -45.03 -30.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.987 ' CD1' HD21 ' A' ' 95' ' ' LEU . 23.3 mt -75.23 -36.17 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.33 -47.5 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.23 97.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 147' ' ' VAL . . . -61.41 -49.57 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.725 HG22 ' CB ' ' A' ' 104' ' ' ALA . 4.2 p -59.07 -53.77 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -32.34 45.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -37.85 74.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 143' ' ' ALA . 92.8 t -75.07 -50.37 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.8 -52.94 28.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 60.4 m170 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.05 -37.36 2.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.707 ' CE2' HD13 ' A' ' 96' ' ' LEU . 8.0 p90 -54.4 112.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.53 -38.49 1.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 14' ' ' THR . 1.2 m -120.9 -79.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.349 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 13' ' ' THR . 2.9 m -63.06 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 10' ' ' PRO . 50.9 t -123.3 117.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -147.52 176.58 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.442 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 2.2 tt0 -84.52 -56.35 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -60.91 -37.47 82.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD13 HG22 ' A' ' 94' ' ' VAL . 21.0 mt -66.71 -57.52 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 13.0 ptt180 -63.43 -18.8 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -32.35 71.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HD12 ' A' ' 27' ' ' LEU . 12.6 m -84.43 -32.46 24.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 23.1 m-85 -84.12 -30.79 25.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.47 -55.58 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 23' ' ' THR . 16.7 mt -62.6 91.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -81.74 -23.46 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.89 123.16 27.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -55.12 -36.42 65.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -37.71 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CG ' HD22 ' A' ' 27' ' ' LEU . 72.6 m-20 -71.17 -56.93 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -50.29 -49.07 54.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -58.64 3.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' MET . 48.5 tp60 -59.08 -41.89 89.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -42.87 -41.04 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.618 HG23 ' HB3' ' A' ' 86' ' ' ARG . 11.8 mt -59.59 -46.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -57.13 -37.86 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -49.0 -29.99 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.78 -33.17 31.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.43 -53.24 57.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -47.55 -46.87 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 17.2 tp -54.78 137.38 64.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 151.34 39.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.31 99.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.5 119.86 39.82 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -65.19 -48.35 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 10.0 pt-20 -45.6 -43.22 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -73.76 -37.67 64.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.22 -33.27 40.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.22 57.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.28 -19.96 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.68 -165.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -117.12 152.02 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.3 131.45 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.3 mt -129.09 148.43 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB2' HH21 ' A' ' 64' ' ' ARG . . . -146.49 174.96 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.39 -17.39 55.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 m -90.84 -176.47 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -40.24 -52.75 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m120 -150.05 -177.09 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.22 145.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.9 t -141.51 125.73 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 64' ' ' ARG . 19.7 m-90 -116.77 134.14 55.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -147.7 138.32 23.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.75 156.53 26.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' THR . 27.8 p90 -167.34 169.24 12.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' TYR . 13.1 p -155.82 157.02 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.795 HG13 ' O ' ' A' ' 75' ' ' GLY . 2.9 t -105.86 144.82 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.04 177.29 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -19.21 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.83 -32.89 15.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.795 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 128.15 -26.67 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.0 mttt -44.55 157.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 71' ' ' VAL . 75.2 mtp -148.85 140.99 23.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.49 103.83 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.633 ' O ' HD22 ' A' ' 96' ' ' LEU . 65.1 m-85 -76.25 149.47 37.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 68' ' ' GLY . 44.9 p90 -159.16 169.41 24.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 157.68 -149.04 19.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.893 ' OD1' HD22 ' A' ' 47' ' ' LEU . 6.2 p-10 -172.09 -175.72 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -163.07 157.85 21.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.08 -35.22 32.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.17 156.48 50.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -81.04 -58.79 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -59.92 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 91' ' ' LEU . 82.2 t -60.66 -64.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -41.41 -32.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.83 -51.01 6.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 88' ' ' VAL . 19.6 mt -46.85 -30.13 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.79 -50.54 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -46.29 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.683 HG12 ' CE2' ' A' ' 116' ' ' PHE . 6.8 t -44.45 -46.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 140' ' ' ILE . 8.1 tt -58.03 -49.35 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.707 HD13 ' CE2' ' A' ' 11' ' ' PHE . 45.6 mt -64.38 -28.33 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -75.63 -28.84 58.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -75.19 -17.43 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.98 HG12 ' CD2' ' A' ' 107' ' ' LEU . 32.8 m -114.05 31.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.64 94.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.82 77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -144.67 157.92 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 p -84.72 160.51 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -54.7 -44.31 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.62 -54.33 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -35.7 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.98 ' CD2' HG12 ' A' ' 99' ' ' VAL . 12.0 mt -64.09 -52.78 57.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.94 -22.46 62.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.19 -19.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 107' ' ' LEU . 38.0 tt0 -142.82 108.89 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -62.62 130.44 93.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.97 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 137' ' ' SER . 10.8 mt -64.91 -20.95 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASP . . . -52.44 -61.07 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.94 -59.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.683 ' CE2' HG12 ' A' ' 94' ' ' VAL . 86.7 m-85 -47.94 -37.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -73.69 -49.45 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -57.13 -42.84 81.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 21' ' ' ARG . 15.1 mt -74.25 -31.46 62.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.11 39.98 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 94' ' ' VAL . 18.8 mt -85.37 -50.75 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.47 ' HG3' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.47 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.49 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.2 m-20 -57.32 -61.05 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.73 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -52.93 -56.79 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.787 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.4 t -65.08 -47.76 76.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 2.0 mm-40 -47.73 -35.3 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.22 -44.19 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.944 ' O ' HG23 ' A' ' 144' ' ' THR . 15.1 mt -74.71 -40.29 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.9 mm -54.42 -47.72 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.25 86.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.02 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 140' ' ' ILE . 47.4 p -54.43 -44.32 72.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -47.39 -33.64 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -49.97 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.71 -40.3 86.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.09 -27.74 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.28 11.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 18.9 p90 -69.21 125.53 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -32.55 4.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 m -81.92 -80.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.4 m -103.78 -5.38 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -133.54 70.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.662 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.1 t -100.29 -167.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.99 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -65.79 -44.25 86.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.7 tt0 -63.31 -61.51 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -53.45 -36.24 61.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 16' ' ' THR . 13.6 mt -63.89 -57.71 8.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.882 ' HB3' HD21 ' A' ' 119' ' ' LEU . 5.2 ptm180 -64.87 -25.17 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 20.1 m -77.66 -25.01 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 27' ' ' LEU . 13.6 m-85 -86.6 -24.61 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.2 -51.86 5.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.92 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' A' ' 24' ' ' PHE . 90.8 mt -45.98 94.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.7 m -85.5 -23.66 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -84.96 110.89 19.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ASP . 6.0 t90 -45.18 -46.4 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 107.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -42.12 -27.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' TRP . 42.6 m-20 -64.99 -57.59 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -46.57 -52.18 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -29.8 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -61.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 39' ' ' MET . 25.0 tt0 -54.32 -35.87 63.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.948 HD11 HD22 ' A' ' 121' ' ' LEU . 16.2 mt -55.39 -31.12 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.45 -62.46 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.1 ptt? -46.21 -30.78 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -42.14 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.93 93.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -48.32 -51.8 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -56.01 -50.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' HD2' ' A' ' 45' ' ' PRO . 20.7 tp -54.28 138.62 57.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 148.65 35.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 104.12 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.66 114.78 9.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.6 42.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.05 -25.92 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.6 mm-40 -64.69 -45.92 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.04 -39.12 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 11.2 mtmt -53.78 -33.02 54.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.47 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -83.11 -16.88 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.98 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mtmm -115.84 150.89 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.25 133.41 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.16 113.99 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.4 60.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.26 35.9 1.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.53 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -140.53 -179.06 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -41.59 -37.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.615 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.92 -174.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -41.95 148.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.749 HG11 HD21 ' A' ' 136' ' ' LEU . 77.2 t -144.36 144.42 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.9 m-90 -135.84 136.45 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -154.13 137.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.26 141.2 10.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 78' ' ' HIS . 15.4 p90 -146.49 157.88 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' MET . 6.6 p -140.87 142.39 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG22 ' CG ' ' A' ' 77' ' ' MET . 3.2 t -105.65 162.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.67 -179.18 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.82 -53.07 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.82 -22.63 66.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 92.1 -17.63 56.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.511 ' CG ' HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -77.73 157.95 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 5.2 m-70 -137.73 104.34 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' HB ' ' A' ' 99' ' ' VAL . 76.9 m-85 -84.51 147.32 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 34.7 p90 -165.21 117.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.764 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -153.43 -149.49 5.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.919 ' OD1' HD22 ' A' ' 47' ' ' LEU . 3.9 p-10 -174.98 -176.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -167.16 168.67 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -47.38 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.45 136.65 21.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -59.16 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.2 tp -61.19 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 75.6 t -52.41 -41.98 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -50.9 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.99 10.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' CE2' ' A' ' 116' ' ' PHE . 9.5 mt -46.73 -33.88 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 -54.35 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . -49.13 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 121' ' ' LEU . 1.1 t -40.77 -42.35 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 140' ' ' ILE . 6.6 tt -59.24 -61.38 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -46.7 -29.97 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -74.79 -38.21 62.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -66.88 -16.22 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.054 HG12 HD21 ' A' ' 107' ' ' LEU . 16.2 m -112.12 31.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 37.3 tt0 -55.53 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 37.26 45.89 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 160.55 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.5 p -96.97 146.63 24.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.16 -57.59 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.85 -61.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -45.83 -50.14 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.054 HD21 HG12 ' A' ' 99' ' ' VAL . 29.9 mt -51.4 -55.25 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -60.5 -24.68 65.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.32 -28.9 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -136.35 113.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.1 p -68.17 144.39 96.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.98 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 133' ' ' LEU . 15.2 mt -61.14 -22.07 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.57 74.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.99 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -52.55 -52.6 54.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLY . 74.4 m-85 -50.8 -52.98 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.4 -34.6 75.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.83 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 21' ' ' ARG . 79.2 mt -75.56 -21.93 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.86 43.22 6.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.948 HD22 HD11 ' A' ' 37' ' ' LEU . 13.8 mt -85.55 -37.11 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 9.4 p30 -60.98 -31.78 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -65.55 -37.92 88.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.749 HD21 HG11 ' A' ' 65' ' ' VAL . 6.8 mt -75.73 -37.57 59.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -65.11 -54.37 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 139' ' ' ALA . 8.1 pt-20 -48.97 -32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.4 -41.67 69.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 95' ' ' LEU . 27.5 mt -74.97 -43.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.5 mm -51.46 -50.32 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.85 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.734 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 38.6 p -58.06 -42.7 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -35.91 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -38.98 61.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.79 -55.22 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -48.3 -50.81 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -23.2 13.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 3.0 m-30 -73.94 82.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 16' ' ' THR . . . 158.49 -47.75 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.04 -68.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -79.37 -42.47 25.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 15' ' ' VAL . 19.5 t -104.05 73.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -82.46 173.19 12.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.886 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.2 -33.94 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.1 tp10 -73.61 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -44.88 -38.48 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 97' ' ' THR . 5.6 mt -64.31 -42.54 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -62.46 -18.86 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -37.07 65.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.9 m -76.57 -35.3 58.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 14.3 m-85 -86.35 -23.89 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.95 -52.88 5.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.34 89.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' PRO . 6.2 t -86.83 1.63 51.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -105.95 144.5 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -81.47 -40.99 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.6 pt-20 -52.59 -43.24 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -64.74 -48.74 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 16.8 mtmt -54.02 -56.35 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.7 -26.62 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -60.64 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.02 -32.18 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.609 HD23 ' CD1' ' A' ' 40' ' ' LEU . 9.2 mt -49.86 -39.56 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 86' ' ' ARG . 12.5 mt -60.37 -39.94 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 mtt -70.4 -29.03 65.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.609 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.11 -39.25 55.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.17 -42.52 83.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -50.39 -38.18 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.01 HD21 ' OD2' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 154.96 43.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.12 116.48 15.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.798 HD12 ' HD2' ' A' ' 48' ' ' PRO . 31.4 tp -69.95 117.47 54.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.798 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.98 163.05 36.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.78 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.0 tp10 -44.07 -44.17 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -37.82 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -54.89 -39.17 68.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.18 -21.58 62.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.1 mp0 -83.76 -12.27 55.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.12 -176.21 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.5 154.91 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -84.82 126.96 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.007 ' HB ' HG13 ' A' ' 65' ' ' VAL . 1.3 mm -107.35 162.75 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 58' ' ' ILE . . . -156.66 173.58 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.39 -10.79 62.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HG11 ' A' ' 65' ' ' VAL . 73.7 m -78.45 169.15 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.44 -12.13 49.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -163.37 -179.55 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HB2' ' CH2' ' A' ' 66' ' ' TRP . 4.8 ptt180 -60.73 140.44 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.007 HG13 ' HB ' ' A' ' 58' ' ' ILE . 4.0 p -152.64 165.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.506 ' N ' HG22 ' A' ' 65' ' ' VAL . 18.1 m-90 -142.88 171.11 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.39 126.67 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -127.7 138.93 10.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 70' ' ' THR . 18.7 p90 -144.37 166.7 24.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -158.97 178.01 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.574 HG13 ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -130.69 135.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.51 -164.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -82.27 -30.84 30.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.507 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 111.41 -16.29 26.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 101' ' ' GLY . 1.3 mtmt -44.93 101.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG13 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -71.28 154.65 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -143.26 104.04 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 77.8 m-85 -84.33 154.68 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.669 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.0 p90 -165.42 119.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 82' ' ' ASP . . . -149.95 -170.4 17.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 1.01 ' OD2' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -164.91 160.1 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 18.9 t -150.73 171.88 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -56.75 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.58 141.85 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -73.31 -56.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 mm -62.17 -39.18 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.49 -37.08 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HG2' HD22 ' A' ' 44' ' ' LEU . 3.4 ttt180 -55.23 -53.13 59.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -68.24 -42.81 82.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 87' ' ' ILE . 8.4 mt -47.55 -42.91 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.34 -41.71 93.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -50.12 -49.38 51.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 121' ' ' LEU . 2.4 t -60.92 -34.96 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.91 -57.83 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.68 HD13 ' HG ' ' A' ' 92' ' ' LEU . 5.0 mp -49.07 -26.13 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 18.5 m -75.21 -48.84 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.88 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.963 HG12 HD21 ' A' ' 107' ' ' LEU . 20.2 m -103.26 33.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 100' ' ' GLU . 2.3 tm-20 -55.25 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.49 45.71 2.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.95 162.53 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -91.32 157.42 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -50.15 -46.92 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -47.09 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.029 HD22 HG21 ' A' ' 140' ' ' ILE . 4.0 mt -51.72 -46.31 63.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 141' ' ' ILE . 19.1 mt-30 -75.06 -21.98 58.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.29 61.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -151.18 131.22 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -72.78 145.44 86.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.0 Cg_endo -75.06 -0.82 10.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 mt -79.59 -19.36 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.89 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -41.22 -61.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.422 ' CE1' HG12 ' A' ' 94' ' ' VAL . 91.7 m-85 -45.51 -54.85 6.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -59.76 -41.58 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -61.24 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.54 -20.66 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.37 30.95 53.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 94' ' ' VAL . 99.7 mt -84.61 -21.06 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 1.1 m-80 -47.85 -54.63 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.35 -56.61 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.0 mt -43.28 -55.72 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 t -63.07 -49.29 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.7 mm-40 -45.83 -35.97 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.05 -35.6 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 1.029 HG21 HD22 ' A' ' 107' ' ' LEU . 37.0 mt -74.08 -42.07 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' A' ' 108' ' ' GLN . 43.3 mm -56.35 -54.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.09 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.52 -47.84 52.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.961 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.7 p -62.54 -45.53 92.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -48.81 -35.36 14.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.12 81.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.14 -43.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -36.9 77.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 15.9 p80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.01 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -68.38 59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 150.98 44.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.19 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.425 ' N ' HG22 ' A' ' 13' ' ' THR . 1.9 m -117.21 -34.72 4.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.722 HG13 HD21 ' A' ' 20' ' ' LEU . 67.9 t -92.12 107.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -127.36 155.55 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.452 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.58 -31.55 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.58 -60.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -49.26 -43.63 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.722 HD21 HG13 ' A' ' 15' ' ' VAL . 15.2 mt -63.82 -37.54 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.33 -32.38 56.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.39 -42.36 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -26.47 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CD1' HD12 ' A' ' 27' ' ' LEU . 10.1 m-85 -86.72 -18.6 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.79 -54.41 3.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 -28.18 9.36 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 24' ' ' PHE . 43.0 mt -62.93 -129.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 88.59 4.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.435 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' TRP . 30.0 mt-30 -109.58 112.71 24.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' GLN . 1.3 t90 -37.65 -52.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -51.79 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -70.7 -55.38 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -43.66 -55.97 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 1.7 t80 -58.85 -30.93 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.561 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.19 -32.19 54.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.928 HD21 HD13 ' A' ' 121' ' ' LEU . 8.4 mt -49.19 -36.1 18.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.442 HG23 ' CB ' ' A' ' 86' ' ' ARG . 11.5 mt -68.42 -38.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.7 mmt -62.44 -36.76 83.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -52.4 -28.38 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.27 -54.18 5.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -44.33 -51.72 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.59 -43.39 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 11' ' ' PHE . 1.3 tp -51.53 138.61 29.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.85 39.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.09 116.77 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HD2' ' A' ' 48' ' ' PRO . 26.9 tp -68.82 117.79 54.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -75.01 165.6 30.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -64.87 -55.83 17.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.59 -41.18 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HG3' ' A' ' 50' ' ' GLU . 1.1 mm? -73.98 -39.24 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 28.1 mttt -52.54 -37.64 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.51 61.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -81.22 -13.63 58.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.08 -174.88 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -113.89 147.65 38.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.43 85.05 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.9 mt -66.93 135.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.36 83.81 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 169.97 48.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 56.5 m -134.72 -49.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER 166.4 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.4 m120 -151.11 -175.84 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -50.43 128.21 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 63' ' ' ASN . 61.6 t -129.65 152.98 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 9.7 m-90 -142.88 121.8 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -137.15 137.07 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -142.05 141.19 10.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 70' ' ' THR . 10.5 p90 -155.76 168.1 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 0.799 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 69' ' ' TYR . 4.8 p -156.95 144.41 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 77' ' ' MET . 98.0 t -98.23 132.37 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.26 169.4 10.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -39.65 60.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -69.56 -31.83 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.42 -32.13 5.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 108.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -82.99 164.23 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 104.49 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.417 ' O ' HD23 ' A' ' 96' ' ' LEU . 92.0 m-85 -89.31 148.7 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 55.4 p90 -165.31 121.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -159.25 -162.32 11.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.6 -174.59 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.82 164.31 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -47.41 17.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -69.29 113.28 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' CB ' HG23 ' A' ' 38' ' ' ILE . 4.9 mtt85 -46.0 -55.91 6.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 88' ' ' VAL . 6.3 tp -47.48 -56.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.558 ' N ' HG23 ' A' ' 87' ' ' ILE . 58.5 t -63.05 -24.79 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.8 ttt180 -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.05 -44.87 97.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 116' ' ' PHE . 2.5 mt -50.29 -52.39 36.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.819 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.99 -43.44 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.15 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.737 HG13 ' CD2' ' A' ' 115' ' ' LEU . 2.6 t -42.65 -52.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tt -48.88 -62.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.819 HD13 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mp -52.74 -30.48 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.44 -27.7 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . -74.32 -21.75 59.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.798 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -113.25 24.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -54.96 121.58 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 34.43 72.4 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -144.42 162.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.3 p -92.96 148.74 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.787 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -41.72 -51.12 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.04 -53.77 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -49.71 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.798 HD22 HG12 ' A' ' 99' ' ' VAL . 5.3 mt -50.73 -46.79 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 148' ' ' LEU . 5.7 mt-30 -69.48 -26.72 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.76 -17.83 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 103.94 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.23 134.55 75.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.2 20.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.8 mt -72.41 -19.92 61.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.27 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.91 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.65 -59.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.684 ' CE1' HD23 ' A' ' 91' ' ' LEU . 91.8 m-85 -48.2 -56.84 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -56.54 -32.59 65.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -53.72 37.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 24' ' ' PHE . 63.8 mt -75.66 -13.46 60.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.58 22.93 48.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.928 HD13 HD21 ' A' ' 37' ' ' LEU . 16.2 mt -85.14 -11.38 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 116' ' ' PHE . 5.5 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.638 HD21 HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.59 -57.41 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.37 3.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.4 mt -41.26 -56.11 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.663 ' HB2' HD21 ' A' ' 113' ' ' LEU . 40.8 t -62.1 -51.56 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.07 -35.35 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.99 -57.83 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 144' ' ' THR . 34.1 mt -62.45 -36.75 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.7 mm -55.52 -53.41 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.91 77.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.413 ' HB1' ' OH ' ' A' ' 69' ' ' TYR . . . -62.2 -55.59 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.787 HG22 ' CB ' ' A' ' 104' ' ' ALA . 13.5 p -53.87 -44.18 70.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -32.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -45.34 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.35 -49.5 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.543 HD12 ' OE1' ' A' ' 108' ' ' GLN . 3.7 mt -50.18 -54.86 17.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.0 -21.51 15.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 2.3 m-30 -64.36 74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 168.05 -57.91 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.8 -80.18 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -58.98 -40.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 16.8 t -103.51 131.38 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.78 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -146.39 164.14 33.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.419 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -52.35 -39.18 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 35.4 tt0 -72.72 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -48.72 -38.27 21.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 13.0 mt -65.19 -31.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.9 ttp85 -67.63 -21.89 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.02 -26.58 62.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 99.3 m -75.14 -44.78 45.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.596 ' HD1' HD12 ' A' ' 27' ' ' LEU . 31.6 m-85 -86.82 -19.06 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.14 -53.33 3.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.818 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.01 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HD1' ' A' ' 24' ' ' PHE . 84.7 mt -49.58 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.9 m -75.81 -22.98 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.78 149.26 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -86.93 -33.45 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.04 -18.63 61.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' HD13 ' A' ' 27' ' ' LEU . 99.1 m-20 -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.42 -62.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.52 -40.09 74.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -60.94 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 tm0? -57.85 -34.44 69.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.1 mt -46.13 -56.81 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 86' ' ' ARG . 3.3 mt -42.87 -43.82 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.88 95.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -31.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -79.69 -51.86 4.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 mtmt -40.2 -46.06 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.94 -47.2 52.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD13 ' HE2' ' A' ' 11' ' ' PHE . 14.3 tp -55.09 137.87 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 154.36 42.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.97 127.23 83.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 144.97 30.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.88 -25.48 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -64.87 -44.58 89.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.46 -27.66 60.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.03 -34.44 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.73 60.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -82.68 -20.69 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.733 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.49 -167.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -114.35 152.35 31.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -85.14 136.67 33.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -137.52 138.05 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.13 88.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.95 42.67 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -47.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 170.22 -31.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.2 m-80 -149.35 165.77 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -37.35 144.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 63' ' ' ASN . 82.0 t -140.04 138.32 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 6.2 m-90 -131.41 136.31 47.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.733 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -150.17 135.46 18.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.68 141.72 10.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 42.6 p90 -154.8 170.11 22.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 69' ' ' TYR . 12.4 p -157.99 139.74 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 75' ' ' GLY . 2.3 t -80.87 129.76 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.99 -176.23 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.48 -35.66 81.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -89.84 -27.03 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 131.45 -21.63 4.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.2 mtp -84.74 148.53 26.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -122.84 104.28 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.629 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.672 ' HB2' HG21 ' A' ' 99' ' ' VAL . 81.8 m-85 -86.1 143.92 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 15.7 p90 -164.53 128.67 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -156.62 -154.79 7.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.691 ' OD1' HD22 ' A' ' 47' ' ' LEU . 4.3 p-10 -171.05 -177.32 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -170.8 166.11 7.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -46.55 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.37 116.0 8.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -44.65 -53.52 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mm -59.27 -61.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.75 -43.33 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.522 ' HD3' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -57.21 -49.04 77.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.03 -44.21 98.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.508 HD22 ' HE2' ' A' ' 116' ' ' PHE . 19.4 mt -48.87 -42.61 37.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 88.6 mt -53.41 -54.55 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.585 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -38.31 -64.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.513 HG13 HD22 ' A' ' 115' ' ' LEU . 3.0 t -44.0 -43.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -60.81 -51.94 67.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.547 ' HA ' HG22 ' A' ' 99' ' ' VAL . 3.4 mm? -54.72 -32.61 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.7 -31.3 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.98 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.763 HG12 HD21 ' A' ' 107' ' ' LEU . 16.4 m -94.55 31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.6 tm-20 -55.72 91.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.57 44.75 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -95.27 162.25 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.3 p -94.06 146.97 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.794 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -40.07 -57.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.45 -51.74 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -54.97 12.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.763 HD21 HG12 ' A' ' 99' ' ' VAL . 10.0 mt -47.45 -48.65 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.42 -29.69 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.31 -19.64 53.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 109.42 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 142.92 98.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.41 15.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 116' ' ' PHE . 17.6 mt -78.86 -40.63 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . . . -40.18 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -64.56 -54.05 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CE2' HD21 ' A' ' 133' ' ' LEU . 25.6 m-85 -49.18 -42.94 41.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -71.13 -28.62 64.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -59.03 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 21' ' ' ARG . 9.0 mt -75.25 -26.03 58.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.06 43.77 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.8 mt -85.5 -26.51 26.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.512 HD21 ' CE2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -75.03 -34.63 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.85 88.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.5 mt -75.08 -42.58 56.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -65.91 -53.4 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.6 -31.54 25.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.99 -44.21 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 107' ' ' LEU . 21.3 mt -75.81 -37.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.4 mm -58.85 -46.33 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.08 -55.68 13.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 104' ' ' ALA . 7.8 p -50.0 -36.2 27.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -34.82 70.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -41.5 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.16 -53.14 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 148' ' ' LEU . 3.0 mt -45.34 -47.26 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.67 21.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.816 ' CZ ' ' HB1' ' A' ' 93' ' ' ALA . 20.0 m-85 -73.02 70.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.91 44.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.92 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 13' ' ' THR . 2.0 m -119.09 -36.25 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.423 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.31 87.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.852 ' HA ' HG23 ' A' ' 97' ' ' THR . 1.0 OUTLIER -104.88 179.59 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -61.37 -26.93 68.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.63 -61.32 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -48.69 -42.19 34.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 97' ' ' THR . 5.8 mt -63.02 -40.83 98.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' CG ' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.95 -23.33 65.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -67.97 -23.0 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -84.48 -36.24 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 28.7 m-85 -86.05 -26.38 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.68 -53.44 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.824 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.0 Cg_endo -75.07 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.812 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 21.9 mt -58.67 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -78.9 -22.57 45.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.62 115.16 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.432 ' CZ2' ' O ' ' A' ' 120' ' ' GLY . 1.4 t-105 -48.11 -44.23 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 107.989 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.63 -36.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ARG . 73.9 m-20 -64.64 -57.2 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 12.8 mttt -44.17 -57.51 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.53 -23.74 66.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -75.49 -63.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.4 tp-100 -55.01 -40.13 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' LEU . 13.5 mt -43.75 -50.83 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 34' ' ' TYR . 3.6 mt -54.08 -38.88 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' GLN . 1.8 mtt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.17 -30.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 -42.53 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -46.19 -54.45 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -44.64 -44.23 8.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.6 131.91 77.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.03 40.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 99.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -55.47 125.96 61.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.13 41.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 tp10 -56.38 -45.36 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -36.26 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.33 -37.65 70.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.58 62.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -86.61 -10.52 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -179.49 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.72 148.82 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.62 137.22 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.2 mt -135.22 110.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.0 89.82 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.92 33.9 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.33 -172.32 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -36.38 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 65' ' ' VAL . 74.0 m-20 -162.49 -178.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.46 148.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' ASN . 81.6 t -144.65 128.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 14.6 m-90 -120.27 145.55 46.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.44 132.08 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -140.89 140.22 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 9.8 p90 -149.12 170.64 17.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 69' ' ' TYR . 15.6 p -152.9 137.54 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 77' ' ' MET . 97.1 t -90.33 142.63 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.29 178.94 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -29.75 70.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -83.6 -8.91 59.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 102.37 -20.53 44.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -45.09 163.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.88 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -151.5 156.01 39.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -143.03 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.768 ' O ' HD12 ' A' ' 96' ' ' LEU . 72.7 m-85 -81.01 151.97 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 28.7 p90 -165.42 119.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -150.73 -149.32 5.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -174.57 170.17 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 t -156.9 167.1 31.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -51.57 6.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.75 155.4 1.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -59.33 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.38 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.55 -50.51 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.764 ' O ' HD23 ' A' ' 92' ' ' LEU . 22.5 ttm180 -46.56 -55.98 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.43 -45.52 94.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 116' ' ' PHE . 3.2 mt -48.87 -44.21 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -60.91 -55.32 34.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.816 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -39.01 -57.92 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -46.78 -44.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 140' ' ' ILE . 7.9 tt -56.98 -48.71 77.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 79' ' ' PHE . 3.1 mm? -56.91 -30.23 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.852 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.3 m -76.83 -31.24 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.43 -31.3 60.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG12 HD21 ' A' ' 107' ' ' LEU . 20.7 m -92.04 30.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 48.59 41.94 26.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -93.77 162.14 14.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.3 p -104.9 152.02 23.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.888 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -40.79 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.57 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.49 -52.9 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.765 HD21 HG12 ' A' ' 99' ' ' VAL . 12.1 mt -47.91 -44.18 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.23 -28.02 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.64 -23.85 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -146.36 116.93 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.8 p -70.51 143.54 90.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.24 18.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.826 HD13 ' NH2' ' A' ' 122' ' ' ARG . 7.6 mt -62.66 -28.68 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -48.91 -60.19 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -38.74 -61.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.63 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 94.9 m-85 -46.96 -51.76 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.43 -38.49 87.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.91 75.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.552 HD23 ' CG ' ' A' ' 21' ' ' ARG . 17.8 mt -74.73 -26.21 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.18 40.91 8.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.683 ' CD1' HG21 ' A' ' 94' ' ' VAL . 21.8 mt -85.02 -54.25 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.826 ' NH2' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.732 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -49.3 -39.93 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.23 80.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 43.6 mt -72.94 -41.51 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.626 ' HB2' HD21 ' A' ' 113' ' ' LEU . 24.9 t -57.65 -54.36 47.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.16 -27.76 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -58.25 -37.21 74.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.706 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 32.2 mt -74.74 -47.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.5 mm -51.09 -49.55 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.831 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -73.49 -45.51 53.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.888 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 29.3 p -63.99 -44.31 93.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.417 ' H ' ' HG1' ' A' ' 144' ' ' THR . 11.8 mmtt -48.33 -40.75 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.76 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 71' ' ' VAL . 94.4 t -73.64 -49.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.613 ' N ' HD23 ' A' ' 148' ' ' LEU . 3.2 mt -50.8 -43.89 58.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 p80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.705 ' HE2' HD13 ' A' ' 44' ' ' LEU . 3.8 m-85 -73.78 61.46 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.4 -36.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 14' ' ' THR . 2.1 m -105.42 -89.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 13' ' ' THR . 5.9 m -54.17 -47.37 72.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 3.3 t -96.77 103.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.683 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -121.56 -179.49 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -63.46 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.61 -61.17 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -49.63 -46.51 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 24.2 mt -58.15 -35.55 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -61.39 -28.44 69.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -34.51 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -73.27 -35.84 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.716 ' HD2' HD22 ' A' ' 119' ' ' LEU . 46.4 m-85 -85.94 -23.07 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.48 -54.74 3.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 -42.59 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.76 98.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -98.15 -16.19 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.99 115.76 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.8 t90 -43.35 -44.59 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 10.6 pt-20 -40.41 -48.03 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 67.1 m-20 -65.02 -46.34 81.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -52.39 -53.36 45.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.1 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 38' ' ' ILE . 9.6 ttt85 -73.92 -56.55 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 52.8 tp60 -57.16 -42.2 80.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 121' ' ' LEU . 10.2 mt -43.39 -47.43 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.856 HG23 ' HB3' ' A' ' 86' ' ' ARG . 7.9 mt -54.27 -42.57 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -60.5 -43.15 97.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -45.41 -32.87 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -70.78 -47.1 41.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -43.32 -48.25 6.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -50.54 56.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 ' HE2' ' A' ' 11' ' ' PHE . 28.6 tp -51.08 126.16 25.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.02 152.26 40.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.43 102.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 115.0 7.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.225 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -47.52 77.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -45.08 -46.53 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -44.93 54.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 1.1 mtmt -53.1 -32.44 47.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.16 -28.34 60.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -81.04 -17.08 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.98 176.55 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.9 OUTLIER -107.41 153.54 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -85.02 129.8 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' HB ' HG12 ' A' ' 65' ' ' VAL . 4.5 mt -128.7 152.02 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.09 86.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.99 52.91 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 m -146.37 -48.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 172.66 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.685 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 m-20 -148.75 173.12 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -37.89 146.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 63' ' ' ASN . 95.6 t -142.32 150.78 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' ' HD3' ' A' ' 52' ' ' LYS . 7.6 m-90 -143.21 144.03 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -146.91 132.6 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -146.46 137.44 6.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.507 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 14.0 p90 -149.35 160.1 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -146.23 140.28 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.04 141.66 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.21 -175.01 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.37 -39.87 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.0 p-10 -85.85 -28.15 24.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.05 -19.08 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -44.68 100.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -85.74 161.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -142.93 104.36 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.945 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 64.5 m-85 -85.16 152.98 22.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.897 ' HA ' HD21 ' A' ' 96' ' ' LEU . 2.2 p90 -165.73 170.21 14.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.061 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.31 -151.78 20.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.135 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 2.8 p-10 -172.9 164.68 5.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.441 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 5.6 t -154.95 158.25 38.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -46.42 27.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -52.63 121.97 17.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.856 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.33 -59.1 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.9 -55.94 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 91' ' ' LEU . 38.2 t -47.32 -35.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 83' ' ' SER . 7.5 ttt85 -70.6 -44.19 67.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.32 -42.29 90.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 88' ' ' VAL . 64.5 mt -50.18 -39.94 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mt -46.84 -49.75 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.826 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -48.51 -67.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 121' ' ' LEU . 5.7 t -47.81 -37.32 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.019 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -65.06 -55.52 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.897 HD21 ' HA ' ' A' ' 80' ' ' PHE . 8.8 mp -61.3 -25.87 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.45 -31.1 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.84 64.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 140' ' ' ILE . 24.9 m -103.78 32.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.26 80.9 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -144.78 158.23 43.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.9 p -75.62 146.3 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -52.72 -37.8 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -30.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.622 ' CD2' HG12 ' A' ' 99' ' ' VAL . 8.9 mt -64.19 -40.73 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' ALA . 5.3 mt-30 -71.53 -27.02 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.22 -29.21 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -102.71 119.6 39.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 114' ' ' ALA . 78.8 p -75.65 113.94 31.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.91 2.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 137' ' ' SER . 13.3 mt -59.26 -31.5 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.425 ' HB2' ' OG ' ' A' ' 111' ' ' SER . . . -50.57 -43.6 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -50.16 -59.73 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 94' ' ' VAL . 76.2 m-85 -46.2 -52.35 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -63.04 -36.46 83.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -48.48 78.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 24' ' ' PHE . 53.0 mt -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.39 35.37 8.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.715 HD11 HG21 ' A' ' 94' ' ' VAL . 22.3 mt -84.25 -42.9 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 138' ' ' GLU . . . -64.03 -49.01 74.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.633 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.1 mt -63.73 -36.12 82.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.478 ' HB2' HD21 ' A' ' 113' ' ' LEU . 2.8 t -60.68 -59.86 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 135' ' ' ALA . 7.8 pt-20 -51.35 -29.08 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.97 82.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 1.026 ' O ' HG23 ' A' ' 144' ' ' THR . 16.4 mt -72.35 -36.32 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.8 mm -62.26 -56.04 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.83 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.18 -49.5 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 140' ' ' ILE . 28.9 p -65.47 -48.02 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -27.65 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.28 -49.85 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.59 -34.39 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 148' ' ' LEU . 8.0 mt -63.22 -53.86 46.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -13.3 21.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HE2' HD12 ' A' ' 44' ' ' LEU . 17.0 m-85 -65.39 85.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.02 -35.96 2.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -90.54 -34.36 15.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 0.731 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -112.86 -35.07 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.6 m -125.53 89.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m -79.82 171.86 14.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.836 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -53.91 -26.59 25.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 26.8 tt0 -81.61 -62.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -43.29 -35.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 97' ' ' THR . 1.2 mt -65.75 -50.12 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -64.32 -18.97 65.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -70.21 -40.42 74.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 2.0 m -75.68 -32.07 59.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 21.8 m-85 -86.27 -21.42 27.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.805 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.08 -54.21 3.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.805 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.01 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 18.8 mt -64.97 92.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -88.55 -21.28 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.69 128.97 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -56.95 -40.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.005 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -47.56 -35.32 8.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 71.0 m-20 -70.1 -57.27 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -53.38 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.03 -37.4 74.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -56.63 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -55.7 -40.4 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -47.47 -48.42 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 86' ' ' ARG . 10.4 mt -54.66 -37.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mtt -73.6 -26.14 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.79 -23.25 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.89 -46.16 9.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -45.69 -39.5 8.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -59.97 -47.79 84.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.37 131.61 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.57 31.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.767 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.23 113.15 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' A' ' 48' ' ' PRO . 22.6 tp -67.83 123.37 86.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.99 158.94 41.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.61 -38.83 92.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.27 -42.6 81.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.59 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.1 mtmt -55.95 -40.96 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.68 -17.35 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.7 17.05 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.91 -171.35 2.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -119.79 149.17 42.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.8 117.8 24.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 3.4 mm -87.96 158.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.74 102.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.05 -33.5 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ASN . 42.2 m -74.52 176.37 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -38.49 -31.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.7 m-20 -164.41 177.37 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -53.14 143.33 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 12.5 t -139.41 129.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 17.6 m-90 -98.28 126.12 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.8 tt -143.65 144.41 31.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -158.97 159.08 30.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.585 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 35.9 p90 -167.49 164.33 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -140.72 138.62 34.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.525 HG12 ' HA2' ' A' ' 75' ' ' GLY . 6.1 t -82.45 122.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -178.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -35.81 82.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 11.0 p-10 -86.03 -29.41 23.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.525 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 133.07 -26.03 3.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -44.56 103.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.444 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.1 mtp -85.48 156.11 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -139.41 118.14 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 140' ' ' ILE . 25.1 m-85 -102.1 150.87 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 26.0 p90 -166.48 113.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -148.91 -148.24 4.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.445 ' CG ' HD23 ' A' ' 47' ' ' LEU . 35.4 p-10 -163.89 -170.4 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -156.54 154.31 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -80.77 -37.13 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.4 176.23 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -88.58 -58.31 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.351 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.498 HG22 HD12 ' A' ' 91' ' ' LEU . 24.3 mm -45.42 -66.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.4 t -47.56 -36.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 1.7 ttt180 -54.97 -51.58 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.52 -50.74 53.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.909 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -45.62 -44.99 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.58 -58.82 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.88 -64.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 116' ' ' PHE . 2.2 t -41.45 -51.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.6 tt -53.29 -55.92 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -56.84 -30.35 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 20' ' ' LEU . 17.8 m -75.7 -32.1 59.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.26 -32.63 61.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.055 HG12 HD21 ' A' ' 107' ' ' LEU . 35.0 m -92.31 32.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.33 99.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.94 45.47 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -94.76 162.69 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.6 p -101.78 155.02 18.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.511 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -46.57 -53.25 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -49.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -45.83 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.055 HD21 HG12 ' A' ' 99' ' ' VAL . 9.7 mt -51.67 -41.18 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 34.2 mt-30 -73.23 -28.64 62.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.89 59.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.45 110.32 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -75.11 152.51 86.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.52 8.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.23 -25.12 61.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.41 -58.29 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.836 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.89 -61.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CE1' HD23 ' A' ' 91' ' ' LEU . 10.5 m-85 -44.83 -51.37 9.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.12 -52.72 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.51 -57.18 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.97 -31.09 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.92 37.66 5.98 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.47 HD22 HD11 ' A' ' 37' ' ' LEU . 67.9 mt -85.26 -68.53 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.81 -56.11 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.87 -59.1 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -44.55 -58.93 2.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 140' ' ' ILE . 41.4 t -56.35 -51.58 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -41.4 -38.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -51.0 -45.09 61.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 144' ' ' THR . 3.5 mt -75.23 -46.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 141' ' ' ILE . 5.9 mm -53.13 -39.41 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.05 88.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.585 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.92 -48.01 67.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 140' ' ' ILE . 67.6 p -51.85 -40.74 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -58.01 -37.35 74.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.05 59.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 71' ' ' VAL . 93.5 t -69.69 -56.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 148' ' ' LEU . 6.7 mt -46.35 -46.67 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 80' ' ' PHE . 5.5 m80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -74.99 75.11 3.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HE2' HD12 ' A' ' 44' ' ' LEU . 56.2 m-85 -154.33 57.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.52 -29.48 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -99.16 -60.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -91.47 -45.64 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG13 ' HG ' ' A' ' 20' ' ' LEU . 7.5 t -87.5 97.12 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -108.69 165.71 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -48.88 -25.06 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tt0 -76.61 -54.82 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -59.18 -37.94 78.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 97' ' ' THR . 2.5 mt -65.85 -57.41 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -59.36 -18.9 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -30.14 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -85.73 -32.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 36.1 m-85 -85.42 -25.43 26.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.23 -54.18 3.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.98 -43.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 32' ' ' ASP . 37.0 mt -66.49 88.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 28' ' ' THR . 88.3 m -90.69 19.93 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -119.96 120.38 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -54.42 -39.5 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -52.91 -36.73 59.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.35 -56.32 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 9.6 mttt -45.97 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.813 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -52.55 -31.95 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -62.28 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -22.63 42.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 121' ' ' LEU . 14.3 mt -58.99 -48.82 80.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.5 mp -51.31 -35.65 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtt -75.5 -32.97 60.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -49.89 -32.16 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -41.79 91.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -47.04 -50.43 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -49.52 -35.58 20.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD12 ' HE2' ' A' ' 11' ' ' PHE . 3.7 tp -60.15 127.78 86.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.28 43.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.07 98.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.725 HD22 ' OD1' ' A' ' 82' ' ' ASP . 2.9 tp -61.43 128.48 89.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.51 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.96 138.15 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.68 -25.06 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -63.74 -42.76 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -74.52 -29.29 61.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 9.0 mttt -58.91 -34.42 71.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.63 -14.71 60.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -90.85 -10.72 41.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.47 -174.03 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -123.64 148.47 46.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.19 86.43 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 58' ' ' ILE . 1.2 mt -65.5 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.98 169.86 11.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.44 -26.85 13.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.83 -176.36 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -49.02 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 m120 -155.53 -172.72 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' CH2' ' A' ' 66' ' ' TRP . 17.0 ptp180 -53.88 119.3 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' ILE . 40.1 t -115.25 130.04 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.527 ' CH2' ' HG3' ' A' ' 64' ' ' ARG . 22.7 m-90 -108.56 118.39 36.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.655 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 3.1 tt -135.03 144.98 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -142.5 157.42 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.453 ' CE1' ' HB1' ' A' ' 143' ' ' ALA . 25.7 p90 -159.45 151.18 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' MET . 3.3 p -146.89 146.4 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -94.7 139.09 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.76 -162.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.88 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.3 p-10 -73.88 -30.32 62.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 127.34 -12.42 6.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.486 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -44.04 108.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 70' ' ' THR . 44.8 mtp -81.97 143.24 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.574 ' O ' ' CE2' ' A' ' 80' ' ' PHE . 2.1 m80 -123.1 104.33 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.749 ' CE2' HG23 ' A' ' 140' ' ' ILE . 84.5 m-85 -90.21 141.86 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 78' ' ' HIS . 2.6 p90 -166.35 132.67 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -160.16 -155.46 7.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.725 ' OD1' HD22 ' A' ' 47' ' ' LEU . 19.2 p-10 -174.42 115.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.754 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.543 ' HB2' HD11 ' A' ' 92' ' ' LEU . 44.3 t -86.0 171.48 11.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.04 -48.08 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.79 152.77 52.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.45 -29.92 57.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.483 HG22 ' CD1' ' A' ' 91' ' ' LEU . 25.4 mm -68.6 -67.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -46.07 -43.51 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.846 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.01 -55.4 5.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -62.51 -44.52 97.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.94 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -50.15 -48.4 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.8 mt -47.3 -43.51 22.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.4 -70.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 121' ' ' LEU . 21.0 t -43.25 -52.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.8 tt -52.0 -58.79 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -57.73 -29.03 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.991 HG21 HD12 ' A' ' 20' ' ' LEU . 19.1 m -75.46 -33.86 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -74.67 -32.55 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.914 HG12 ' CD2' ' A' ' 107' ' ' LEU . 30.7 m -96.26 32.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' GLY . 9.1 pt-20 -56.19 104.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 35.48 47.24 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -95.29 151.44 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 p -87.16 148.03 25.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.21 -53.63 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.25 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.91 -47.61 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.914 ' CD2' HG12 ' A' ' 99' ' ' VAL . 20.1 mt -54.02 -45.07 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' CD ' HD12 ' A' ' 148' ' ' LEU . 13.4 mt-30 -63.01 -34.28 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.95 -14.4 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -115.21 -173.55 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -163.85 131.76 2.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.753 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -74.96 -27.14 10.34 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 133' ' ' LEU . 7.7 mt -55.24 -26.12 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.13 -54.4 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.04 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.24 -50.25 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.94 ' CE1' HD23 ' A' ' 91' ' ' LEU . 48.7 m-85 -53.99 -55.28 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.11 -40.03 92.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -52.04 67.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 21' ' ' ARG . 45.0 mt -73.8 -24.49 59.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 94.1 24.07 20.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.929 HD22 HD11 ' A' ' 37' ' ' LEU . 84.4 mt -83.02 2.98 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.442 ' HG3' HD12 ' A' ' 133' ' ' LEU . 11.2 ttp180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 116' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.27 -58.32 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.86 -61.84 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.593 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.8 mt -42.52 -59.09 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.49 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.5 t -51.55 -51.32 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -46.26 -34.99 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.46 -35.55 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 1.034 ' O ' HG23 ' A' ' 144' ' ' THR . 11.6 mm -75.15 -40.62 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.47 -54.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.53 -36.06 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 69' ' ' TYR . . . -71.82 -48.22 47.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . 1.034 HG23 ' O ' ' A' ' 140' ' ' ILE . 52.0 p -62.83 -44.25 96.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -38.4 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -59.25 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.26 -57.28 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.493 HD12 ' CD ' ' A' ' 108' ' ' GLN . 2.9 mt -48.61 -36.89 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.625 ' HB2' HD12 ' A' ' 44' ' ' LEU . 1.1 t-80 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 50.28 2.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -72.03 60.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.87 -34.53 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -97.9 -84.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.412 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 -48.48 54.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 15' ' ' VAL . 27.5 t -89.35 79.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.536 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -94.04 168.34 11.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.77 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -58.72 -23.33 59.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 24.6 tt0 -82.05 -59.75 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.8 m -46.92 -33.71 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 97' ' ' THR . 0.9 OUTLIER -62.69 -54.37 40.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -60.4 -18.67 52.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -66.38 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -83.64 -29.85 27.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 28.1 m-85 -86.45 -24.39 25.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.86 -52.78 3.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 -32.33 5.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 24' ' ' PHE . 20.1 mt -72.1 88.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 m -84.32 -21.6 30.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.77 119.37 23.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -54.61 -29.65 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.37 -32.7 72.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.04 -56.59 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HB3' HD21 ' A' ' 121' ' ' LEU . 10.5 mttt -46.75 -62.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.81 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.75 -31.65 49.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -23.1 37.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.105 HD11 HD22 ' A' ' 121' ' ' LEU . 12.4 mt -58.29 -44.17 88.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.09 -32.91 51.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmt -75.26 -28.39 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD21 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.79 -40.69 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.59 88.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.16 -45.72 53.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.85 -42.31 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 9' ' ' HIS . 10.5 tp -60.19 133.81 90.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.46 35.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.83 107.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 48' ' ' PRO . 6.3 tp -63.81 133.84 95.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.93 152.48 41.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -60.58 -44.09 96.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.36 -29.69 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' HD23 ' A' ' 47' ' ' LEU . 10.1 mttt -58.57 -34.5 71.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.52 60.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -87.96 -17.37 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -93.71 -169.41 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.1 mtmm -114.01 150.05 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 133.17 34.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.491 ' HB ' HG12 ' A' ' 65' ' ' VAL . 7.7 mt -131.46 133.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.23 -170.67 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.77 -16.87 43.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.64 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -38.15 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 65' ' ' VAL . 26.0 m120 -157.15 178.04 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.64 150.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 63' ' ' ASN . 92.6 t -145.27 145.51 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.8 m-90 -138.3 146.46 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -158.97 132.97 7.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -136.86 150.65 20.66 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' THR . 44.2 p90 -156.28 174.11 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 69' ' ' TYR . 9.2 p -158.57 146.37 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.696 HG22 ' SD ' ' A' ' 77' ' ' MET . 2.4 t -109.37 163.99 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.44 -171.9 3.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -51.81 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -63.98 -12.72 40.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.551 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 84.13 -12.83 52.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -48.1 156.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.696 ' SD ' HG22 ' A' ' 71' ' ' VAL . 84.9 mtp -150.53 140.34 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.42 104.18 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 87.7 m-85 -74.87 147.45 41.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 31.4 p90 -157.39 123.05 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.6 -159.75 9.21 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -166.24 173.82 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 92' ' ' LEU . 3.2 t -157.31 168.95 25.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -40.25 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.02 131.64 50.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.4 77.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 87' ' ' ILE . 3.6 tp -81.7 -48.33 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 94.5 t -52.74 -46.31 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.3 ttt180 -45.02 -55.05 5.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.71 89.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.42 -41.9 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 89' ' ' ARG . 2.9 mt -59.96 -52.69 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG13 HD22 ' A' ' 115' ' ' LEU . 2.1 t -47.98 -46.39 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.498 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.4 tt -59.12 -58.96 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.2 mt -52.79 -29.89 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 20' ' ' LEU . 2.7 m -75.63 -28.15 58.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -73.67 -31.33 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.047 HG12 HD21 ' A' ' 107' ' ' LEU . 13.0 m -92.9 32.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 2.0 pt-20 -55.55 100.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 39.58 43.53 2.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HE2' ' NE2' ' A' ' 110' ' ' GLN . 20.8 mttp -88.76 165.12 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.8 p -106.08 155.95 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -45.07 -54.32 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.35 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -47.46 -52.48 16.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.047 HD21 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -49.43 -46.27 47.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.42 -33.82 76.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.01 -0.61 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.424 ' NE2' ' HE2' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -134.11 -173.19 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -163.97 128.56 1.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.755 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.99 -8.31 19.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 133' ' ' LEU . 14.8 mt -76.32 -28.2 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.07 96.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.77 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -50.47 -53.79 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.448 ' CD1' HG11 ' A' ' 94' ' ' VAL . 21.6 m-85 -50.0 -53.75 24.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.53 -38.9 91.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -56.49 21.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 21' ' ' ARG . 93.0 mt -64.43 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.22 30.88 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.105 HD22 HD11 ' A' ' 37' ' ' LEU . 95.8 mt -85.78 -102.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 2.3 ttt-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 113' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -43.54 -31.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.66 73.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 3.5 mt -64.73 -38.69 91.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.3 t -62.19 -59.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.02 -27.46 32.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.17 -42.4 90.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 33.8 mt -75.48 -36.29 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.53 -51.95 67.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.74 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.32 -61.6 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.9 p -51.77 -36.06 46.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -55.13 -30.87 60.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.42 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.662 ' CG2' HG21 ' A' ' 71' ' ' VAL . 73.9 t -62.47 -53.62 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.7 -53.02 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 14.2 p80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.704 ' HB2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.07 -79.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.674 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.2 m-85 31.77 91.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.25 -42.1 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -65.75 -56.77 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -114.85 -28.99 6.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 10' ' ' PRO . 16.1 m -111.93 90.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.61 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -94.47 164.91 12.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.026 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -49.1 -36.41 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 tt0 -71.02 -61.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 m -42.7 -38.47 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 97' ' ' THR . 1.4 mt -65.51 -51.66 58.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.35 -21.01 64.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 m-20 -72.41 -34.2 67.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.731 HG21 ' OE1' ' A' ' 36' ' ' GLN . 85.2 m -77.4 -34.24 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.688 ' HD2' HD22 ' A' ' 119' ' ' LEU . 16.7 m-85 -85.85 -23.66 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.816 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.89 -53.62 7.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.816 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.09 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.8 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.32 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' OE1' ' A' ' 29' ' ' GLN . 15.1 t -75.99 -25.2 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' OE1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -78.81 105.2 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -44.35 -42.22 6.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.37 -35.82 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -64.76 -57.09 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -42.78 -63.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.3 t80 -52.88 -30.9 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -62.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.731 ' OE1' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -56.41 -18.79 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 34' ' ' TYR . 13.1 mt -64.02 -38.53 91.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -65.16 -34.4 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.39 -43.99 92.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -45.47 -50.33 12.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.3 -53.42 13.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -38.55 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.86 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -59.72 138.99 89.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.98 161.47 38.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.03 106.45 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -54.73 127.37 60.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.03 167.83 26.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -43.94 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.0 pt-20 -51.75 -42.98 62.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -33.51 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 mtmt -55.51 -33.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.02 -21.58 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.03 -20.28 45.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.92 -168.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtmm -113.0 150.34 32.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.28 129.05 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' VAL . 8.0 mt -127.22 114.91 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.7 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.58 35.76 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -141.36 -171.24 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' A' ' 88' ' ' VAL . 4.0 mm-40 -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 t-20 -174.5 -175.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -42.65 144.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 136' ' ' LEU . 96.2 t -138.46 129.5 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 64' ' ' ARG . 2.5 m-90 -117.78 139.54 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -158.27 134.11 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.39 151.27 21.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' THR . 30.3 p90 -154.21 160.88 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' TYR . 20.4 p -157.47 156.37 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -108.62 140.36 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.28 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.02 69.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -25.02 23.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.818 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 109.6 -22.24 24.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.75 107.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -75.96 157.52 33.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -140.83 104.15 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.78 ' CD1' HG21 ' A' ' 99' ' ' VAL . 69.7 m-85 -84.55 149.49 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 21.5 p90 -165.5 117.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -150.79 -153.03 6.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.611 ' OD1' HD22 ' A' ' 47' ' ' LEU . 9.0 p-10 -170.07 -171.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.01 145.17 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 25.34 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -113.6 176.6 17.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -90.42 -59.42 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 mm -78.98 -44.27 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 62' ' ' GLU . 60.0 t -50.07 -37.6 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.768 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.0 ttt180 -61.67 -37.49 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.44 -42.57 27.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.937 HD23 ' CE1' ' A' ' 116' ' ' PHE . 5.6 mt -50.9 -49.47 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.32 -52.27 28.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.706 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.25 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.2 t -39.74 -46.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.942 HD21 HD11 ' A' ' 140' ' ' ILE . 10.1 tt -58.15 -56.45 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -52.58 -30.63 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 20' ' ' LEU . 1.8 m -75.03 -27.91 60.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.6 64.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.905 HG12 HD22 ' A' ' 107' ' ' LEU . 17.6 m -95.24 31.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.09 82.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -144.73 159.36 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.9 p -87.11 147.06 25.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.09 -56.01 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.23 -49.43 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -48.23 68.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.905 HD22 HG12 ' A' ' 99' ' ' VAL . 42.5 mt -54.64 -44.47 73.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -61.44 -34.98 76.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.41 -21.44 59.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.96 103.43 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.41 151.93 94.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -80.41 -22.73 40.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.78 84.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.71 -60.16 4.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.937 ' CE1' HD23 ' A' ' 91' ' ' LEU . 33.1 m-85 -48.09 -44.11 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.89 -43.63 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -60.8 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.688 HD22 ' HD2' ' A' ' 24' ' ' PHE . 90.0 mt -60.48 -30.0 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.24 41.81 7.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 37' ' ' LEU . 21.3 mt -85.25 -45.66 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 1.5 tmm_? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.616 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.433 ' N ' ' HG ' ' A' ' 133' ' ' LEU . 5.4 p30 -50.03 -33.14 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -63.17 -35.82 81.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 65' ' ' VAL . 9.5 mt -73.78 -35.93 65.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -56.99 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -49.83 -30.2 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.74 -38.11 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.942 HD11 HD21 ' A' ' 95' ' ' LEU . 36.2 mt -75.05 -41.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 mm -56.08 -52.14 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.19 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.87 -56.18 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.43 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 32.5 p -56.53 -41.56 76.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -33.14 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -49.05 22.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.43 -47.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -66.22 -25.29 66.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.622 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -69.92 80.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 16' ' ' THR . . . 176.26 -63.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -108.63 -64.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 19' ' ' THR . 16.6 m -60.34 -40.78 91.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.6 t -121.49 70.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' GLY . 2.1 m -89.21 170.66 10.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.065 ' HB2' HD21 ' A' ' 115' ' ' LEU . . . -57.1 -30.99 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.7 tp10 -74.91 -60.11 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 14' ' ' THR . 54.5 m -45.24 -42.81 9.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 97' ' ' THR . 7.6 mt -64.4 -35.91 82.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.595 ' HG3' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -64.3 -21.1 66.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.78 -36.11 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.24 -35.22 68.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE1' ' CD ' ' A' ' 36' ' ' GLN . 76.7 m-85 -86.14 -22.06 27.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.03 -54.55 3.22 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.94 -37.86 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.78 86.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.3 t -84.33 -24.78 29.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.91 118.29 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.453 ' CH2' ' CE2' ' A' ' 34' ' ' TYR . 18.0 t90 -47.75 -43.31 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -41.48 -30.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 5.8 mttt -46.3 -51.32 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CE2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -62.05 -33.26 74.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.49 -60.9 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.583 ' CD ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -55.06 -31.89 61.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 37' ' ' LEU . 7.3 mt -52.87 -24.58 9.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.696 HG23 ' HB3' ' A' ' 86' ' ' ARG . 47.0 mt -75.24 -51.05 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 1.8 ptm -54.06 -28.19 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HG2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -45.24 -60.22 2.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.32 -56.66 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -49.97 -32.93 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -46.17 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.83 149.2 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.97 35.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.62 108.33 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.802 HD12 ' HD2' ' A' ' 48' ' ' PRO . 12.5 tp -66.43 134.15 94.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -74.99 153.54 41.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -31.63 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -44.82 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.19 -32.94 67.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -53.1 -36.02 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.0 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.74 -25.53 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -91.8 -169.9 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 1.1 mtmm -120.73 146.02 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -80.88 122.64 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -92.28 175.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.658 ' H ' HG22 ' A' ' 58' ' ' ILE . . . -167.54 67.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.93 29.11 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.8 m -133.89 -178.63 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -25.4 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.96 -168.15 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -59.51 153.49 19.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 83' ' ' SER . 1.4 t -147.98 164.18 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 31.5 m-90 -135.75 141.19 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.647 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.12 133.98 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -141.8 140.62 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 23.1 p90 -153.84 164.73 37.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.8 p -150.31 137.8 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.848 HG22 ' HG3' ' A' ' 77' ' ' MET . 57.7 t -91.15 145.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.79 172.97 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -10.39 32.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -32.36 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 131.45 -25.99 3.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 1.9 mttm -44.56 163.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.848 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -152.37 157.81 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.69 105.67 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.23 154.46 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 68' ' ' GLY . 8.9 p90 -161.03 119.79 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -139.47 -170.31 11.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.467 ' CG ' HD23 ' A' ' 47' ' ' LEU . 14.0 p-10 -173.63 107.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.643 ' HB2' HG13 ' A' ' 65' ' ' VAL . 29.8 t -83.35 171.23 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -82.83 -38.52 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.92 161.08 54.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.696 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -87.8 -31.66 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 0.708 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -73.95 -49.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.638 ' HA ' HD12 ' A' ' 91' ' ' LEU . 43.5 t -58.68 -52.38 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.4 mtt180 -43.6 -36.56 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.27 -49.04 28.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 88' ' ' VAL . 10.4 mt -48.69 -53.46 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 89' ' ' ARG . 1.2 mt -51.26 -46.06 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.94 -70.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.3 t -42.37 -44.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 140' ' ' ILE . 10.3 tt -60.81 -56.52 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 2.7 mt -50.31 -30.34 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 20' ' ' LEU . 2.8 m -76.07 -28.06 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -74.56 -30.3 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.105 HG12 HD21 ' A' ' 107' ' ' LEU . 5.6 m -92.27 31.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CG ' ' HA2' ' A' ' 12' ' ' GLY . 5.5 tm-20 -55.47 103.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 40.06 36.62 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.92 159.33 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.2 p -100.35 153.38 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -44.96 -54.8 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.74 -55.6 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -50.17 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.105 HD21 HG12 ' A' ' 99' ' ' VAL . 5.5 mt -52.16 -48.91 64.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.91 -34.62 73.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.02 -20.9 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -163.77 118.66 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -68.39 145.65 97.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 18.5 Cg_endo -74.98 0.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 137' ' ' SER . 12.8 mt -71.66 -21.27 61.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -59.0 -48.36 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.065 HD21 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.67 -50.7 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 91' ' ' LEU . 91.2 m-85 -58.6 -62.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.94 -31.86 42.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -50.97 69.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 21' ' ' ARG . 30.4 mt -75.52 -26.17 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.66 23.97 6.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.1 mt -86.27 -48.57 8.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HB2' ' CB ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.55 -50.79 19.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.9 -50.5 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.578 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.3 mt -58.52 -51.98 67.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 113' ' ' LEU . 3.1 t -54.91 -49.0 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.79 -37.08 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.01 -41.85 68.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.784 ' CG2' HD13 ' A' ' 107' ' ' LEU . 37.9 mt -72.65 -46.47 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.7 mm -50.56 -49.03 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.25 87.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -59.38 -59.77 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 140' ' ' ILE . 53.4 p -52.56 -45.96 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -45.53 -33.41 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -62.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 71' ' ' VAL . 96.0 t -51.72 -47.04 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.77 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 m170 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.16 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE1' ' HB1' ' A' ' 93' ' ' ALA . 25.8 m-85 -71.74 80.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 -37.51 1.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m -78.67 -82.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.573 ' O ' HG21 ' A' ' 19' ' ' THR . 2.9 m -95.66 -6.27 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 58.8 t -132.15 71.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 18' ' ' GLU . 5.3 t -101.83 -169.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.967 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -58.05 -31.83 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.614 ' H ' HG23 ' A' ' 16' ' ' THR . 19.5 tt0 -70.01 -61.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 14' ' ' THR . 53.3 m -55.47 -40.92 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 97' ' ' THR . 9.1 mt -65.63 -29.34 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.694 ' CG ' HD21 ' A' ' 119' ' ' LEU . 8.3 mtm105 -74.55 -19.31 60.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.83 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -71.62 -38.05 70.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.8 m-85 -87.04 -19.18 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.97 -52.7 3.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 -40.16 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.29 82.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -28.83 59.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -73.13 129.79 38.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.68 ' O ' ' CE3' ' A' ' 30' ' ' TRP . 1.8 t-105 -71.53 -31.59 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.98 -12.44 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.06 -58.0 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -51.78 -49.25 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.676 ' HA ' HD12 ' A' ' 37' ' ' LEU . 17.0 t80 -47.81 -36.76 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -58.2 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -24.11 49.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 121' ' ' LEU . 12.6 mt -54.33 -31.91 55.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.71 -30.4 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttm -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -40.59 -50.08 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.25 -55.42 21.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -42.96 -41.85 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.32 -46.18 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 141.02 81.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.51 38.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.39 100.67 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.53 114.45 8.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.6 42.64 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -46.08 -35.4 4.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.0 tp10 -53.87 -53.15 56.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -74.88 -33.92 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 6.0 mttt -63.33 -33.79 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.99 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -83.24 -5.75 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 179.39 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -106.3 153.07 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 136.97 33.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' VAL . 19.3 mt -136.43 139.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.33 40.05 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -135.89 -47.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 1.4 mt-10 176.07 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 40.5 m-80 -155.66 -173.32 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -49.63 141.37 9.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 63' ' ' ASN . 54.1 t -143.85 118.31 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 19.9 m-90 -110.91 132.17 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -140.62 134.94 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -135.16 149.0 19.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.652 ' O ' HG23 ' A' ' 70' ' ' THR . 7.0 p90 -166.11 165.24 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -159.11 142.28 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 77' ' ' MET . 73.9 t -84.27 136.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.83 169.42 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -65.14 -11.38 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -16.03 15.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.67 -38.01 3.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -83.65 162.68 20.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 3.9 m-70 -137.68 103.91 5.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.688 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 53.9 m-85 -90.86 148.64 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 53.1 p90 -165.41 175.48 9.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 155.37 -157.08 27.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 47' ' ' LEU . 8.4 p-10 -164.86 177.83 7.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -155.13 158.14 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -83.37 -30.89 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.13 48.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -83.31 -51.17 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.2 mm -65.29 -53.6 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.1 t -50.37 -44.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -47.39 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.17 -46.09 52.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.433 ' CD2' ' CE2' ' A' ' 116' ' ' PHE . 13.1 mt -47.45 -27.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.862 ' O ' HD22 ' A' ' 96' ' ' LEU . 98.0 mt -65.21 -59.93 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.633 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -39.65 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.064 HG21 HD12 ' A' ' 121' ' ' LEU . 24.2 t -42.43 -42.7 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -60.05 -61.24 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.862 HD22 ' O ' ' A' ' 92' ' ' LEU . 1.7 mm? -53.38 -29.5 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.17 -35.25 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.3 99.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 107' ' ' LEU . 16.9 m -90.59 33.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.39 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.55 80.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -144.19 157.12 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -77.38 146.44 36.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -45.39 -43.56 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.52 -55.32 33.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.02 -44.47 30.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 99' ' ' VAL . 78.9 mt -53.94 -47.02 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.34 -17.64 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.32 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 107' ' ' LEU . 7.7 tt0 -137.78 119.63 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.7 m -65.97 127.75 93.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.18 15.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 137' ' ' SER . 15.6 mt -61.66 -22.26 65.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -54.28 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.15 -57.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 120' ' ' GLY . 95.8 m-85 -50.64 -58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.22 -40.6 71.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.11 55.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 21' ' ' ARG . 71.7 mt -76.11 -1.04 24.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.617 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . . . 50.18 33.19 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.064 HD12 HG21 ' A' ' 94' ' ' VAL . 7.6 mt -79.31 3.32 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.481 ' CB ' HD11 ' A' ' 133' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 122' ' ' ARG . 1.3 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -64.15 -54.35 35.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.16 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 95' ' ' LEU . 5.7 mt -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.525 ' HB2' HD21 ' A' ' 113' ' ' LEU . 30.0 t -62.72 -48.77 77.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.59 -38.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.74 82.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.912 ' O ' HG23 ' A' ' 144' ' ' THR . 26.4 mt -72.62 -37.11 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 -54.22 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.04 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.1 -58.14 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.0 p -55.77 -42.8 76.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -37.04 63.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -42.44 56.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.63 -36.47 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 148' ' ' LEU . 7.8 mt -71.85 -28.17 63.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -174.51 174.12 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -158.36 108.77 1.68 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.69 35.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -147.13 134.85 21.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -146.9 176.59 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.8 75.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.73 48.31 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 2.5 p80 -75.45 157.02 84.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -75.02 -85.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 44' ' ' LEU . 2.7 m-85 33.53 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.16 -55.77 1.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -51.07 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -117.87 -11.65 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 15' ' ' VAL . 54.6 t -116.44 70.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.52 154.32 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -46.9 -29.12 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' ARG . 12.9 tp10 -74.39 -57.57 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -47.1 -40.31 15.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 94' ' ' VAL . 11.8 mt -65.27 -36.37 83.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.682 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.37 -29.72 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.8 m -77.58 -41.0 40.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 121' ' ' LEU . 20.5 m-85 -86.12 -20.35 28.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.865 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.64 -55.36 3.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.865 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.8 mt -72.52 91.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 t -88.58 -20.71 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.5 125.66 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -53.44 -41.39 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -44.1 -39.56 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.91 -54.97 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -47.77 -56.01 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -60.22 -30.25 69.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.23 -61.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 -34.03 66.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.089 HD11 HD22 ' A' ' 121' ' ' LEU . 12.7 mt -52.11 -42.05 62.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -56.84 -45.83 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.4 mtt -65.4 -28.66 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD22 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -56.05 -38.84 71.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.67 -50.75 46.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.36 -45.09 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.29 -44.98 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 11' ' ' PHE . 4.4 mp -57.44 144.26 72.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.14 40.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.46 115.75 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 tp -66.38 114.58 17.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.13 27.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.36 -42.76 96.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.4 tp10 -50.34 -44.03 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -35.08 64.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -54.45 -36.6 64.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.0 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.27 -19.53 53.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 176.68 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.19 151.56 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 135.87 33.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 65' ' ' VAL . 2.9 mt -133.31 108.97 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.7 42.51 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.72 34.4 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -141.57 -175.6 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -42.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 t-20 -158.31 -175.14 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.68 147.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 63' ' ' ASN . 25.4 t -148.76 123.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -115.66 133.72 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -151.7 142.48 22.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.06 150.7 21.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.75 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 27.2 p90 -157.19 173.12 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 69' ' ' TYR . 2.8 p -154.45 139.37 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.797 HG12 ' HA2' ' A' ' 75' ' ' GLY . 1.4 t -81.27 129.65 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.05 -170.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.06 -48.01 80.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -79.61 -28.17 41.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 129.8 -17.14 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.474 ' HG3' HG13 ' A' ' 71' ' ' VAL . 9.1 mtp -79.16 150.54 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.88 111.48 14.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.54 149.01 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 46.1 p90 -165.56 123.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.47 -159.36 12.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -168.57 -175.32 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.4 t -158.47 163.37 37.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.04 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.4 110.44 3.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.83 -49.68 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 88' ' ' VAL . 5.6 tp -50.1 -57.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.56 ' N ' HG23 ' A' ' 87' ' ' ILE . 84.3 t -56.05 -46.8 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -48.51 -50.71 30.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.06 -46.24 94.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HE1' ' A' ' 116' ' ' PHE . 1.4 mt -47.24 -46.5 24.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 96' ' ' LEU . 22.3 mt -48.36 -51.77 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -40.81 -66.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.5 t -44.73 -46.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.88 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.07 -30.69 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' VAL . 96.1 m -74.94 -43.53 53.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -62.14 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.728 HG12 HD21 ' A' ' 107' ' ' LEU . 30.5 m -99.46 28.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.15 47.86 10.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 10.5 mttm -94.83 157.9 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ALA . 61.9 p -97.37 148.77 22.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -39.41 -56.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.66 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -54.01 4.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 140' ' ' ILE . 1.7 mt -47.29 -52.61 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.0 -29.17 70.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.04 -17.78 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -162.53 115.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.6 m -66.59 148.74 98.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -4.33 15.23 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 137' ' ' SER . 6.5 mt -75.75 -17.71 59.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.85 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -53.01 -56.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.627 ' HE1' HD23 ' A' ' 91' ' ' LEU . 30.1 m-85 -47.42 -48.41 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 123' ' ' ALA . 68.1 t0 -67.55 -48.33 67.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -51.81 56.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 115' ' ' LEU . 60.5 mt -75.49 -23.06 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.49 25.67 49.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.089 HD22 HD11 ' A' ' 37' ' ' LEU . 33.1 mt -85.52 10.15 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 133' ' ' LEU . 0.2 OUTLIER -153.93 -44.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 117' ' ' ASP . . . -44.16 -27.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -88.24 -38.95 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.592 HD22 ' HB3' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -45.81 130.74 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 151.35 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.04 -56.63 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.58 -66.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.592 ' HB3' HD22 ' A' ' 125' ' ' LEU . 2.4 mpt_? -52.1 -39.93 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -36.85 30.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.51 -31.63 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.59 -61.21 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -43.62 -43.5 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.3 -56.87 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.55 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 2.7 mt -48.81 -59.08 3.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 140' ' ' ILE . 7.7 t -52.2 -51.31 58.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -36.09 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -49.95 -37.49 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 107' ' ' LEU . 4.4 mt -73.86 -57.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 141' ' ' ILE . 6.0 mm -42.72 -42.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.75 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -66.58 -53.62 32.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.416 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 42.3 p -50.06 -34.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -63.33 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -48.8 21.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.23 -42.63 96.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -52.15 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.182 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.492 0.186 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p -105.42 -173.35 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.29 127.52 5.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.63 23.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.2 134.79 20.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -140.43 166.8 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 -50.68 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 118.16 -53.12 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 3.7 p80 51.01 91.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -74.98 -35.79 2.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 3.0 p90 -53.79 88.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 16' ' ' THR . . . 159.56 -65.1 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -88.4 -70.65 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -70.72 -35.88 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 15' ' ' VAL . 40.8 t -116.01 76.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -90.98 156.89 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -48.07 -25.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -83.73 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -44.4 -31.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 94' ' ' VAL . 6.4 mt -65.51 -51.94 56.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -67.7 -18.34 64.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.3 t30 -73.31 -30.96 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -85.04 -33.55 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.34 -24.26 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.815 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.45 -53.36 4.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 -40.85 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.49 87.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -82.12 -22.85 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 31' ' ' GLU . 2.5 mt-30 -78.86 104.81 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CH2' ' HB3' ' A' ' 123' ' ' ALA . 3.3 t90 -43.71 -31.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -51.86 -43.69 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' ARG . 34.5 m-20 -64.79 -55.39 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -56.1 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -27.01 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -74.72 -64.46 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -31.5 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 HD22 ' A' ' 121' ' ' LEU . 13.3 mt -58.09 -36.62 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' A' ' 86' ' ' ARG . 61.9 mt -67.31 -36.49 76.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.07 -30.0 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -74.82 -44.6 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -55.71 -38.33 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.91 -45.82 91.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.91 144.63 74.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 163.98 34.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.13 116.95 15.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 ' OD2' ' A' ' 82' ' ' ASP . 26.9 tp -70.3 114.52 26.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.06 156.89 42.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.94 -44.86 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 5.0 tp10 -49.29 -46.48 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.67 -37.73 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -56.31 -37.84 70.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.34 -19.51 61.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -84.84 -13.96 49.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -101.9 -173.18 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.03 150.96 38.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -84.77 120.86 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 2.9 mm -86.75 154.16 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.63 101.02 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.96 -25.11 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.0 OUTLIER -75.08 -176.48 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -53.72 -20.06 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.529 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.2 m120 -170.23 -174.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 17.9 ptp180 -65.63 118.23 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.0 t -116.46 139.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.43 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 28.2 m-90 -107.4 135.22 49.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.539 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 tt -144.9 141.87 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.62 140.26 9.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 143' ' ' ALA . 7.2 p90 -145.9 161.2 40.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 69' ' ' TYR . 7.1 p -156.65 177.0 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -126.29 139.19 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . . . -95.23 -170.02 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.39 -28.94 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' OD1' ' HB3' ' A' ' 72' ' ' ALA . 15.2 p30 -94.51 -24.08 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.457 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 112.44 -19.37 22.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.6 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -71.52 154.21 41.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -137.14 104.39 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.579 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 96' ' ' LEU . 64.5 m-85 -88.23 146.76 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -164.85 125.78 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -155.93 -148.06 4.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.579 ' OD2' HD23 ' A' ' 47' ' ' LEU . 51.8 p-10 -168.8 -168.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.784 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 92' ' ' LEU . 6.5 t -164.06 158.45 19.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 1.2 pp20? -85.02 -21.19 29.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.79 118.16 5.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.717 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.82 -54.32 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.615 HG23 ' H ' ' A' ' 88' ' ' VAL . 6.2 tp -46.43 -61.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.615 ' H ' HG23 ' A' ' 87' ' ' ILE . 62.2 t -55.57 -42.82 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.8 ttt180 -52.52 -31.84 37.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.27 -47.22 7.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.711 HD13 ' HE ' ' A' ' 122' ' ' ARG . 18.9 mt -49.97 -45.83 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.6 mt -55.2 -52.37 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.03 -54.16 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.661 HG22 HD13 ' A' ' 20' ' ' LEU . 1.2 t -57.19 -39.03 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -65.36 -56.03 14.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -55.02 -28.78 54.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.5 m -69.98 -26.43 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -72.43 -35.6 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.822 HG12 HD22 ' A' ' 107' ' ' LEU . 19.6 m -99.55 31.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 1.1 tm-20 -55.59 95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.01 78.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.49 163.84 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -80.31 146.58 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.635 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.94 -56.98 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.03 -54.09 14.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -38.59 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.822 HD22 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -62.86 -41.78 99.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.502 HE21 HG23 ' A' ' 141' ' ' ILE . 62.4 mt-30 -71.59 -24.8 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.32 -26.96 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -115.21 113.36 23.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 21.8 m -65.51 115.78 25.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.422 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.98 -16.9 20.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 133' ' ' LEU . 13.3 mt -84.38 -36.12 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -41.48 -36.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -56.47 -56.44 21.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLY . 16.7 m-85 -49.61 -48.96 48.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.08 -43.48 87.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -48.2 82.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 115' ' ' LEU . 21.1 mt -74.76 -31.14 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 79.12 40.78 15.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 37' ' ' LEU . 25.5 mt -85.68 -59.04 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.711 ' HE ' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -86.55 21.63 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.754 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . . . -62.52 -24.16 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -15.99 50.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -44.68 125.21 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.861 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -65.2 -177.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.6 t -84.42 -47.17 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -46.99 -29.49 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.401 ' CA ' HD13 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -63.29 -37.87 88.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.453 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -59.41 -22.42 61.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -85.14 -28.54 30.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -64.74 -52.03 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 8.6 p30 -57.92 -34.93 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -59.25 -43.49 92.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.618 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.8 mt -62.38 -44.05 97.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.3 OUTLIER -64.2 -50.27 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.9 mm-40 -41.92 -37.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.15 71.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 144' ' ' THR . 33.5 mt -75.0 -45.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 141' ' ' ILE . 3.6 mm -55.1 -44.77 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.49 79.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.23 -43.61 66.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 140' ' ' ILE . 69.5 p -64.83 -49.66 69.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -46.45 -35.17 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -56.55 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.77 -49.78 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.95 -56.4 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.507 0.194 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.1 m -105.26 157.77 17.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -89.49 142.4 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -170.96 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -146.54 -166.68 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.85 -179.17 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.782 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -123.17 174.86 6.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.96 -175.31 14.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 17.8 p80 -177.98 134.5 0.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' HIS . 18.2 Cg_endo -75.02 -15.44 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.822 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.7 m-30 -67.19 76.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' THR . . . 164.37 -60.04 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.5 m -90.3 -76.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -61.13 -44.63 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 15' ' ' VAL . 23.5 t -109.17 79.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -88.51 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -61.44 -29.79 70.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.4 tt0 -75.6 -60.56 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -46.05 -39.0 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 HG13 ' A' ' 15' ' ' VAL . 11.3 mt -65.16 -39.63 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -61.53 -19.58 62.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -79.77 -33.24 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -85.85 -21.96 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.41 -55.08 5.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 -42.11 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 48.3 mt -68.69 87.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -87.62 -23.65 24.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.79 123.65 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.96 -40.07 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.34 -45.99 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 82.3 m-20 -65.04 -55.88 16.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -43.52 -55.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -60.23 -36.34 77.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -67.57 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -55.09 -34.18 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -53.13 -41.64 65.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 35' ' ' ARG . 7.1 mt -56.57 -40.8 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.62 -41.19 92.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -45.7 -42.05 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -69.33 -49.41 39.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -43.11 -39.99 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -57.7 -44.92 86.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.822 HD13 ' HE2' ' A' ' 11' ' ' PHE . 16.1 tp -51.94 136.48 37.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 149.83 37.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 102.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.94 112.83 4.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.42 -22.48 66.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -52.32 52.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -73.33 -31.71 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HG2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -57.62 -33.57 68.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.49 -20.67 58.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.74 -17.41 35.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.03 179.91 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.21 150.94 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.74 134.48 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.1 mt -137.01 137.65 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.83 101.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 135' ' ' ALA . . . 169.95 40.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -134.53 -53.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER 167.72 -31.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-80 -147.22 173.9 12.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -41.9 150.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.9 t -145.22 138.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 11.2 m-90 -136.79 98.28 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -97.82 138.26 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -147.05 141.62 9.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 20.9 p90 -160.02 164.14 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -147.12 141.56 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 138.39 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.56 -177.32 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -64.86 -50.13 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -68.66 -26.26 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.29 -24.53 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.09 106.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.555 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -85.87 163.14 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -142.45 104.18 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 109.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 65.7 m-85 -85.08 155.3 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.799 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.3 p90 -166.53 163.87 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.53 ' O ' HD21 ' A' ' 92' ' ' LEU . . . 162.4 -160.15 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.931 ' OD1' HD22 ' A' ' 47' ' ' LEU . 18.5 p-10 -164.36 -173.75 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -169.73 159.88 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -38.34 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -59.58 123.28 32.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -59.23 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.724 HD13 ' CD1' ' A' ' 34' ' ' TYR . 4.4 tp -61.95 -50.23 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.2 t -52.24 -32.88 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.9 ttt-85 -63.79 -59.83 4.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.07 -36.21 91.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 116' ' ' PHE . 4.3 mt -58.25 -35.76 72.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 81' ' ' GLY . 2.9 tp -65.08 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.89 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 121' ' ' LEU . 2.6 t -41.02 -39.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.6 tt -60.63 -56.25 23.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' PHE . 7.0 mp -53.09 -29.16 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 16' ' ' THR . 96.9 m -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.12 69.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.896 HG12 HD22 ' A' ' 107' ' ' LEU . 30.2 m -94.7 31.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.3 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 49.67 76.87 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -144.74 156.81 44.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.4 p -83.26 146.42 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.848 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.31 -50.54 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.63 -67.47 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -48.07 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.896 HD22 HG12 ' A' ' 99' ' ' VAL . 43.3 mt -51.76 -44.98 63.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -75.07 -24.02 58.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -149.37 117.36 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.0 p -60.23 135.93 91.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -13.51 21.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 133' ' ' LEU . 17.8 mt -67.74 -32.1 72.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.89 -52.07 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -51.79 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.595 ' CE1' HG12 ' A' ' 94' ' ' VAL . 79.0 m-85 -45.22 -49.07 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.28 -37.15 84.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -43.98 92.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 53.2 mt -74.68 -22.36 58.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.49 36.36 6.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 37' ' ' LEU . 32.8 mt -85.07 -55.92 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 133' ' ' LEU . 2.4 tmm_? -86.73 33.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.7 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.79 21.08 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.898 HD22 ' HB3' ' A' ' 129' ' ' ARG . 4.2 mt -44.9 110.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 65.8 m -39.7 149.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.89 -64.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -55.95 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.898 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -58.31 -48.46 80.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -50.64 -46.66 58.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -53.54 -23.61 11.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -70.88 -55.66 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.83 -45.22 63.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.12 -37.98 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 60' ' ' GLY . . . -58.04 -53.95 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 7.9 mt -62.98 -36.97 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.748 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.4 t -60.48 -57.32 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.58 -26.75 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.13 -49.66 75.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 1.011 ' O ' HG23 ' A' ' 144' ' ' THR . 76.9 mt -63.89 -44.65 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.7 mm -54.06 -59.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.93 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -69.45 -50.17 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 140' ' ' ILE . 35.7 p -59.27 -44.53 92.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.93 -36.02 26.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.03 -36.47 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 143' ' ' ALA . 48.6 t -72.05 -53.08 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -50.09 -52.39 35.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.541 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -126.27 157.98 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.382 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -109.23 137.93 20.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.8 6.8 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.25 122.31 12.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.49 174.76 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . . . -91.62 138.5 31.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.63 99.49 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 27.2 p-80 -92.27 114.35 61.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.38 20.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.057 ' CE2' HD13 ' A' ' 44' ' ' LEU . 3.0 m-30 -70.7 83.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.78 -54.59 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -101.34 -70.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.731 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -66.01 -49.91 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.714 HG13 HD21 ' A' ' 20' ' ' LEU . 36.1 t -98.2 102.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.569 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -114.68 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.998 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.07 -34.33 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.55 -61.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.5 m -47.59 -43.78 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD21 HG13 ' A' ' 15' ' ' VAL . 41.9 mt -64.96 -36.77 85.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -65.19 -32.37 74.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 m -83.97 -32.78 24.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 53.5 m-85 -86.58 -19.61 29.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.75 -54.42 3.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 mt -71.76 93.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -94.53 -20.46 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -88.55 131.06 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 124' ' ' GLN . 8.1 t90 -55.39 -46.07 76.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.985 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -39.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.65 -52.39 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 mttt -48.84 -56.51 8.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.725 ' CE1' HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -58.0 -28.09 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.66 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.82 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 121' ' ' LEU . 10.9 mt -61.87 -35.56 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.452 HD13 HD12 ' A' ' 87' ' ' ILE . 10.6 mm -63.32 -36.09 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.9 mtt -67.56 -44.04 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -43.09 -49.93 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -59.6 -60.29 9.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 13.8 mttm -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.9 -47.56 52.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.057 HD13 ' CE2' ' A' ' 11' ' ' PHE . 7.9 tp -54.21 136.89 59.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.95 157.16 43.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.44 106.42 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.636 HD13 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.78 108.67 1.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -65.55 -26.22 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.3 tp10 -62.51 -51.38 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.22 -32.21 62.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' CD1' ' A' ' 66' ' ' TRP . 2.2 mtmt -60.11 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.67 -23.68 56.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.6 mp0 -92.98 15.0 15.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.43 175.3 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 3.0 mtmm -109.21 149.12 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -81.62 128.99 34.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.91 101.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.56 38.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.14 -4.49 27.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.482 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.2 m -97.6 -178.93 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.64 ' HB2' HG21 ' A' ' 88' ' ' VAL . 3.6 mm-40 -46.34 -32.69 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.87 -165.86 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -54.02 151.64 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 61' ' ' CYS . 70.6 t -152.8 125.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 19.8 m-90 -118.47 98.6 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.6 137.66 43.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.2 142.39 11.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.471 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 7.8 p90 -150.97 174.3 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 69' ' ' TYR . 17.2 p -154.15 150.15 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 72' ' ' ALA . 47.7 t -107.44 163.33 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.455 ' N ' HG12 ' A' ' 71' ' ' VAL . . . -143.14 178.35 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.42 -52.21 48.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.43 -24.17 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -20.9 46.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.24 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.607 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -80.2 158.85 26.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -139.77 104.23 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.607 ' CZ ' ' SD ' ' A' ' 77' ' ' MET . 77.2 m-85 -84.75 151.04 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 26.8 p90 -165.59 118.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 66' ' ' TRP . . . -156.01 -160.42 9.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.636 ' OD1' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -164.2 -175.07 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -164.83 158.68 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.72 -45.54 24.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -46.44 163.89 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -88.84 -56.3 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' CE1' ' A' ' 34' ' ' TYR . 1.9 tp -70.51 -51.09 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 62' ' ' GLU . 97.2 t -46.95 -36.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -58.19 -58.28 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -60.79 -47.4 91.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.741 HD23 ' CE2' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -47.4 -45.39 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.36 -38.35 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -58.79 -65.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.555 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -39.15 -41.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -59.44 -55.76 30.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.1 mp -54.6 -29.29 51.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -72.54 -29.07 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.8 -37.13 65.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.791 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -96.49 32.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 96.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 44.26 78.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -144.6 163.48 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -85.66 146.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -43.57 -50.15 7.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.53 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -51.45 54.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.791 HD22 HG12 ' A' ' 99' ' ' VAL . 4.4 mt -49.32 -42.29 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 141' ' ' ILE . 4.4 mt-30 -72.44 -27.86 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.0 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.14 110.43 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -65.81 135.97 95.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.4 mt -75.31 -24.23 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.26 -53.5 55.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.36 -61.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 91' ' ' LEU . 95.0 m-85 -46.22 -55.92 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.24 -34.5 70.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -52.4 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 24' ' ' PHE . 77.4 mt -72.39 -28.7 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.98 42.9 7.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 94' ' ' VAL . 14.9 mt -84.67 -57.03 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 125' ' ' LEU . 0.5 OUTLIER -86.8 29.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -20.86 42.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -98.67 28.82 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 122' ' ' ARG . 5.9 mt -47.98 175.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.417 ' N ' ' HB2' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -164.78 163.1 21.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.5 -60.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -47.67 61.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 126' ' ' SER . 2.0 mtt-85 -46.71 -53.35 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.33 -53.54 17.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.84 -44.48 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.37 -51.88 51.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -63.5 -43.52 96.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.19 -44.8 79.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -51.8 -43.04 62.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.502 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 11.1 mt -68.9 -38.69 79.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 t -66.27 -59.79 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.2 pt-20 -49.7 -29.82 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.9 -44.45 86.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 1.019 ' O ' HG23 ' A' ' 144' ' ' THR . 38.5 mt -74.69 -35.02 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 108' ' ' GLN . 24.6 mm -63.64 -48.45 86.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.61 -50.86 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 140' ' ' ILE . 80.5 p -56.72 -43.8 80.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.62 -33.13 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -57.85 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 71' ' ' VAL . 66.7 t -54.74 -54.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 148' ' ' LEU . 3.1 mt -46.16 -53.66 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.2 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.504 0.192 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -168.78 159.31 9.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.95 106.4 51.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 82.22 2.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -134.09 106.24 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -162.37 175.18 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.42 133.26 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.78 -82.67 1.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.618 ' CE1' HD11 ' A' ' 44' ' ' LEU . 57.6 m-70 66.33 119.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.584 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.01 -10.42 21.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 18.2 m-30 -72.06 95.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 97' ' ' THR . . . 125.77 -31.71 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -89.85 -76.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -38.97 72.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 10' ' ' PRO . 29.3 m -110.67 119.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.61 170.01 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.977 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.92 -26.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 1.9 tt0 -76.88 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -57.18 -36.38 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.912 ' CD1' HG21 ' A' ' 97' ' ' THR . 0.5 OUTLIER -61.05 -56.94 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 10.7 ptp180 -62.14 -17.83 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -32.41 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -85.21 -34.63 21.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m-85 -84.8 -27.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.62 -54.95 2.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.98 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt -64.33 86.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -81.52 -25.05 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' ASP . 4.6 mt-30 -75.57 110.22 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -46.17 -31.87 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.1 70.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLN . 33.7 m-20 -66.17 -57.16 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 6.6 mttt -44.89 -60.04 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.738 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -57.28 -21.86 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.63 -67.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -29.59 56.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 121' ' ' LEU . 9.6 mt -51.26 -51.42 54.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.3 mp -49.41 -39.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -26.73 60.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -24.47 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 -45.77 6.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -47.27 -46.93 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.03 -47.78 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD11 ' CE1' ' A' ' 9' ' ' HIS . 20.5 tp -54.28 138.5 57.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.99 156.09 42.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.25 100.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -64.85 114.01 13.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.02 146.02 32.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.33 -33.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.2 tp10 -54.99 -46.31 75.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -72.93 -42.1 63.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -53.29 -36.68 61.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.42 -22.81 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.25 -19.19 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.755 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.49 -178.15 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -99.83 144.36 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 7.2 tp10 -82.59 126.09 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' VAL . 5.0 mt -124.02 137.95 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 41.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.76 44.95 1.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -150.47 -178.12 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -38.93 -39.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 65' ' ' VAL . 19.0 m-20 -157.46 179.72 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.14 147.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.1 t -144.6 148.96 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.548 ' CE2' ' OE1' ' A' ' 57' ' ' GLU . 9.2 m-90 -143.22 136.3 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.755 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -148.96 138.02 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.17 138.19 7.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.835 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 41.1 p90 -153.54 171.71 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 69' ' ' TYR . 3.1 p -158.09 140.39 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.699 HG22 ' CG ' ' A' ' 77' ' ' MET . 4.7 t -90.16 127.29 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.22 -170.25 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.82 -49.99 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -66.37 -30.95 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 119.78 -26.55 7.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 104.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.699 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.6 mtp -83.3 154.66 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -134.58 109.43 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.613 ' CD1' HG21 ' A' ' 99' ' ' VAL . 51.2 m-85 -92.99 148.59 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.68 112.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -143.62 -153.37 5.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 5.1 p-10 -166.14 -176.6 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -171.32 163.54 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.05 -41.93 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.26 112.67 5.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -41.51 26.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -67.54 -39.76 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.1 t -67.06 -54.5 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.1 ttt180 -47.17 -42.54 19.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.57 -45.53 45.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 116' ' ' PHE . 6.8 mt -50.19 -49.72 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.4 mt -46.67 -47.17 20.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -41.93 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 121' ' ' LEU . 2.5 t -45.84 -48.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 95' ' ' LEU . 9.3 tt -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 99' ' ' VAL . 2.4 mp -52.4 -28.71 20.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.912 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.0 m -75.75 -38.01 58.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -66.68 -31.21 71.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 107' ' ' LEU . 5.3 m -94.41 33.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.27 45.84 21.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -94.39 168.46 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 154.03 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -46.42 -52.31 13.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.9 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.6 -46.35 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.002 HD21 HG12 ' A' ' 99' ' ' VAL . 8.9 mt -53.8 -53.17 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.476 ' OE1' HD12 ' A' ' 148' ' ' LEU . 46.5 mt-30 -62.98 -26.89 69.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.28 45.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -151.49 111.64 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.5 m -71.88 150.38 92.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.74 12.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.37 -25.66 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -61.29 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.977 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -40.89 -58.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.64 ' CE2' HG12 ' A' ' 94' ' ' VAL . 88.8 m-85 -48.91 -58.24 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.29 -41.9 76.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.16 81.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 73.5 mt -75.41 -13.95 60.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.31 16.24 64.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 94' ' ' VAL . 52.9 mt -82.88 -2.37 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 0.6 OUTLIER -154.12 30.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.24 -61.34 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.26 24.59 10.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.555 HD13 HD13 ' A' ' 133' ' ' LEU . 2.5 mt -44.37 124.6 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -39.57 142.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.33 -56.17 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -46.64 -42.76 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.526 ' CB ' HD22 ' A' ' 125' ' ' LEU . 2.1 mpt_? -74.59 -41.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -55.21 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.37 -22.84 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.16 -57.52 3.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -49.04 -32.26 9.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.64 -58.57 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.22 -56.31 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 65' ' ' VAL . 2.5 mt -47.38 -53.9 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.0 t -59.13 -51.46 69.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.48 -36.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.42 -41.37 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 137' ' ' SER . 15.2 mt -75.44 -38.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.8 mm -55.04 -50.54 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.01 82.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.835 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.12 -60.13 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 104' ' ' ALA . 20.1 p -51.34 -43.55 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -49.35 -36.63 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -45.3 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.92 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.476 HD12 ' OE1' ' A' ' 108' ' ' GLN . 3.1 mt -42.5 -49.72 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.499 0.19 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m 58.81 104.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -171.82 123.06 0.5 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.57 38.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -147.25 128.11 14.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -157.2 178.59 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -32.84 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 104.43 -40.35 2.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 5.7 p80 50.49 85.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.562 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 6.6 p90 -54.8 120.9 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 16' ' ' THR . . . 122.59 -49.43 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -108.08 -76.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 -30.26 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 15' ' ' VAL . 5.8 t -122.66 72.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -89.66 155.58 19.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.736 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -45.89 -31.44 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' ASN . 1.1 tt0 -72.46 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.0 m -43.14 -39.08 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 40' ' ' LEU . 5.9 mt -65.43 -49.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.528 ' CB ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -70.34 -19.15 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 t-20 -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -84.05 -33.17 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 121' ' ' LEU . 18.9 m-85 -86.05 -21.22 27.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.97 -55.22 3.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 31.8 mt -62.33 91.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 m -89.9 -20.91 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.73 123.03 29.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.71 -36.6 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -34.43 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 78.7 m-20 -76.75 -55.76 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 3.8 mtmt -50.01 -62.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.435 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.86 -33.67 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -61.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -18.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.832 HD21 HD13 ' A' ' 121' ' ' LEU . 10.8 mt -63.2 -49.23 75.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 mt -52.95 -32.38 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.94 -39.08 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -46.64 -28.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.13 -39.15 9.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -53.05 -41.73 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.8 -50.94 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' LEU . 5.6 tp -53.97 140.0 52.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.0 159.21 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 115.25 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 51' ' ' LEU . 11.6 tp -74.51 114.05 30.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.6 t0 -63.17 -52.56 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -43.72 -40.91 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -73.93 -38.72 64.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 3.5 mtmp? -54.36 -35.45 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.74 -20.55 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 5.49 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -134.19 -178.79 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 9.1 mtmm -104.69 136.79 43.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 57' ' ' GLU . 3.8 tp10 -79.54 125.6 29.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 2.8 mt -117.29 136.98 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.41 106.44 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.77 -35.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLU . 1.1 m -74.34 -169.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' CYS . 2.3 mm-40 -37.23 -48.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 m120 -150.81 166.75 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -44.18 151.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 83' ' ' SER . 9.5 t -145.09 165.59 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 52' ' ' LYS . 27.5 m-90 -141.44 141.95 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 107.961 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.496 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -148.7 132.43 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -141.31 141.62 11.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 70' ' ' THR . 27.6 p90 -155.14 172.59 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 69' ' ' TYR . 8.9 p -158.54 139.24 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.41 133.03 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 76' ' ' LYS . . . -78.13 -178.24 5.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.11 -34.45 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -91.6 -26.44 18.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.77 -28.67 3.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -44.98 102.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -83.49 163.05 20.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 1.7 m-70 -139.72 104.72 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 99' ' ' VAL . 75.5 m-85 -85.12 153.72 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 29.3 p90 -164.95 119.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.51 175.32 31.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' GLY . 1.9 m-20 -167.45 122.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -85.96 171.44 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -30.76 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.26 171.93 52.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -54.76 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 91' ' ' LEU . 4.9 mm -53.3 -58.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.88 -34.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -57.01 -58.03 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -63.01 -42.71 99.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 116' ' ' PHE . 5.1 mt -47.33 -41.35 19.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.51 -48.0 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.783 ' HB3' HD12 ' A' ' 40' ' ' LEU . . . -39.5 -59.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 121' ' ' LEU . 2.7 t -48.55 -43.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -63.49 -56.53 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.569 ' CD1' HD21 ' A' ' 92' ' ' LEU . 19.0 mt -49.36 -32.56 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 21.4 m -75.36 -28.9 59.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -70.75 -23.94 62.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 107' ' ' LEU . 16.6 m -103.61 29.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -55.14 102.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.55 42.51 0.67 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.17 161.14 14.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.2 p -96.88 147.81 23.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -40.03 -56.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.39 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -45.61 -51.79 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 99' ' ' VAL . 40.3 mt -48.2 -56.7 7.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.67 -21.18 62.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -80.41 -26.81 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.62 114.83 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 90.4 p -65.03 136.94 96.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.02 -11.34 21.43 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 137' ' ' SER . 5.3 mt -76.39 -19.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -57.16 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.736 HD21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.87 -59.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 120' ' ' GLY . 86.6 m-85 -45.42 -55.0 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.16 -49.03 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -48.21 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.734 HD11 HD23 ' A' ' 115' ' ' LEU . 16.7 mt -75.15 -28.52 60.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' A' ' 123' ' ' ALA . . . 83.86 29.35 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.915 HD11 ' CE2' ' A' ' 24' ' ' PHE . 80.0 mt -84.79 -13.54 50.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.457 ' CD ' ' HG ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -154.7 23.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.444 ' HB2' ' HA2' ' A' ' 120' ' ' GLY . . . -55.06 -19.87 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -98.26 22.64 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 133' ' ' LEU . 2.4 mt -44.49 110.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.22 173.49 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -44.62 84.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -31.95 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 t -60.37 -48.73 80.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.32 -31.86 46.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -68.91 -60.48 5.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.6 HD13 HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -57.49 -39.8 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -64.93 -34.77 79.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 19.5 mt -76.48 -45.18 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.72 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.9 t -65.44 -51.59 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -52.22 -30.84 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.19 -39.09 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.83 ' CG2' HD13 ' A' ' 107' ' ' LEU . 14.4 mt -75.23 -40.19 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.36 -53.28 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.48 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.564 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -58.35 -59.3 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 140' ' ' ILE . 44.1 p -55.62 -46.7 77.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.9 -33.95 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.51 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.73 -52.63 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.4 mt -47.66 -58.03 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m -87.75 144.42 26.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -142.08 123.14 8.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.67 26.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.95 -166.76 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -161.04 162.6 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.26 75.01 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.06 119.07 1.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 22.9 p-80 -94.18 111.58 53.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 8.0 p90 -54.87 121.2 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.36 -42.28 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.6 m -75.43 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -115.36 -33.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 40' ' ' LEU . 54.1 t -99.37 71.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -80.15 158.53 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.813 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -51.72 -26.06 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.5 tp10 -80.06 -59.2 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 m -45.8 -35.08 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.89 -39.64 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -68.72 -25.37 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -70.53 -33.04 70.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -80.46 -33.88 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.797 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.0 m-85 -85.17 -27.56 26.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.4 -54.83 4.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 50.5 mt -70.04 99.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' PRO . 42.8 p -97.86 -18.23 18.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.68 120.88 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 7.6 t90 -45.4 -50.06 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -38.16 -37.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 67.6 m-20 -70.87 -57.07 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.52 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE1' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -56.06 -30.05 61.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.71 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.916 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -56.49 -36.86 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.908 HD11 HD22 ' A' ' 121' ' ' LEU . 23.8 mt -49.53 -35.97 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 86' ' ' ARG . 31.4 mt -66.58 -41.87 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttp -61.16 -41.52 96.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -42.97 -48.45 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.55 -47.8 89.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -51.4 -41.87 61.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.48 -41.08 84.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HD21 ' A' ' 92' ' ' LEU . 8.1 mp -58.65 142.44 83.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.45 35.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.43 97.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.955 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.09 119.27 47.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.76 36.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.13 -27.11 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 tp10 -62.51 -45.27 93.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -28.55 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -60.03 -35.45 75.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -14.24 60.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -87.17 -20.51 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.847 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -103.99 -170.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -108.89 152.14 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 133.88 34.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.9 mt -134.91 147.46 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.58 68.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -142.63 12.84 2.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.61 -50.64 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.08 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 65' ' ' VAL . 9.1 m-20 -147.43 -177.21 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -45.27 136.83 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 63' ' ' ASN . 68.8 t -138.16 123.26 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 13.3 m-90 -115.53 134.22 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.847 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -149.22 133.28 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.49 139.64 10.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -148.27 164.1 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' MET . 40.3 p -146.4 157.71 43.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 77' ' ' MET . 13.6 t -116.18 162.6 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.61 -177.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.67 -53.31 40.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -65.97 -18.26 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 86.3 -16.36 44.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -50.07 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -75.32 159.78 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.88 104.59 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 96' ' ' LEU . 80.5 m-85 -84.22 145.86 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -165.18 125.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -162.62 -155.5 8.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.955 ' OD1' HD22 ' A' ' 47' ' ' LEU . 5.9 p-10 -166.05 -175.81 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.79 160.84 20.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -44.89 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.68 124.71 33.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.545 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.1 mtm180 -53.91 -59.2 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.485 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.01 -42.86 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.38 -47.32 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.671 ' O ' HD23 ' A' ' 92' ' ' LEU . 8.4 ttm180 -57.04 -60.1 4.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -48.69 -41.11 26.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.116 HD22 HD11 ' A' ' 133' ' ' LEU . 1.8 mt -56.58 -52.27 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.9 -42.41 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -50.16 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 121' ' ' LEU . 4.5 t -39.34 -48.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 140' ' ' ILE . 9.5 tt -52.3 -51.78 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -61.19 -27.87 68.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 53.9 m -75.06 -27.22 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -34.42 61.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.975 HG12 HD22 ' A' ' 107' ' ' LEU . 27.4 m -101.86 32.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 94.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.47 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -144.41 168.08 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.1 p -88.18 147.54 24.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.725 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -45.73 -55.43 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.98 -54.76 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -51.86 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.975 HD22 HG12 ' A' ' 99' ' ' VAL . 21.6 mt -49.75 -49.51 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.18 -30.0 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.22 -18.08 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -144.8 104.39 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -64.58 145.03 98.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -22.93 14.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.2 mt -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -46.28 -52.25 12.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.24 -59.87 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.627 ' CE1' HD23 ' A' ' 91' ' ' LEU . 78.9 m-85 -47.47 -49.98 24.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -63.72 -43.98 94.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.52 84.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.797 HD22 ' HD2' ' A' ' 24' ' ' PHE . 88.2 mt -74.99 -27.85 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.93 31.07 7.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 37' ' ' LEU . 15.0 mt -86.25 -53.99 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -79.74 -51.13 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -42.75 -45.27 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -74.61 -50.99 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.461 ' CD2' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER -44.66 143.54 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.1 m -60.65 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.97 -49.76 9.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.17 -64.2 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.461 ' HD3' ' CD2' ' A' ' 125' ' ' LEU . 37.2 mtp85 -54.62 -44.77 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -37.35 12.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -48.43 -27.58 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -70.41 -58.47 5.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 1.116 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -48.04 -44.55 31.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -38.21 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -63.82 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.524 HD21 HG11 ' A' ' 65' ' ' VAL . 54.5 mt -40.57 -37.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.804 ' HB2' HD21 ' A' ' 113' ' ' LEU . 42.4 t -65.79 -69.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 5.7 pt-20 -45.03 -30.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.987 ' CD1' HD21 ' A' ' 95' ' ' LEU . 23.3 mt -75.23 -36.17 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.33 -47.5 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.23 97.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 147' ' ' VAL . . . -61.41 -49.57 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.725 HG22 ' CB ' ' A' ' 104' ' ' ALA . 4.2 p -59.07 -53.77 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -32.34 45.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -37.85 74.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 143' ' ' ALA . 92.8 t -75.07 -50.37 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.8 -52.94 28.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.494 0.188 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.0 m -95.47 128.12 42.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -86.55 127.26 61.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.99 -167.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -149.28 121.1 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.945 ' HB1' ' NE2' ' A' ' 9' ' ' HIS . . . 172.72 72.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -54.33 7.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.945 ' NE2' ' HB1' ' A' ' 7' ' ' ALA . 60.4 m170 67.82 90.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 109.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.05 -37.36 2.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.707 ' CE2' HD13 ' A' ' 96' ' ' LEU . 8.0 p90 -54.4 112.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.53 -38.49 1.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 14' ' ' THR . 1.2 m -120.9 -79.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.349 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 13' ' ' THR . 2.9 m -63.06 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 10' ' ' PRO . 50.9 t -123.3 117.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -147.52 176.58 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.442 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 2.2 tt0 -84.52 -56.35 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -60.91 -37.47 82.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD13 HG22 ' A' ' 94' ' ' VAL . 21.0 mt -66.71 -57.52 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 13.0 ptt180 -63.43 -18.8 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -32.35 71.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HD12 ' A' ' 27' ' ' LEU . 12.6 m -84.43 -32.46 24.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 23.1 m-85 -84.12 -30.79 25.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.47 -55.58 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 23' ' ' THR . 16.7 mt -62.6 91.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -81.74 -23.46 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.89 123.16 27.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -55.12 -36.42 65.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -37.71 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CG ' HD22 ' A' ' 27' ' ' LEU . 72.6 m-20 -71.17 -56.93 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -50.29 -49.07 54.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -58.64 3.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' MET . 48.5 tp60 -59.08 -41.89 89.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -42.87 -41.04 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.618 HG23 ' HB3' ' A' ' 86' ' ' ARG . 11.8 mt -59.59 -46.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -57.13 -37.86 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -49.0 -29.99 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.78 -33.17 31.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.43 -53.24 57.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -47.55 -46.87 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 17.2 tp -54.78 137.38 64.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 151.34 39.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.31 99.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.5 119.86 39.82 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -65.19 -48.35 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 10.0 pt-20 -45.6 -43.22 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -73.76 -37.67 64.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.22 -33.27 40.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.22 57.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.28 -19.96 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.68 -165.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -117.12 152.02 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.3 131.45 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.3 mt -129.09 148.43 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB2' HH21 ' A' ' 64' ' ' ARG . . . -146.49 174.96 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.39 -17.39 55.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 m -90.84 -176.47 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -40.24 -52.75 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m120 -150.05 -177.09 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.22 145.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.9 t -141.51 125.73 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 64' ' ' ARG . 19.7 m-90 -116.77 134.14 55.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -147.7 138.32 23.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.75 156.53 26.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' THR . 27.8 p90 -167.34 169.24 12.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' TYR . 13.1 p -155.82 157.02 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.795 HG13 ' O ' ' A' ' 75' ' ' GLY . 2.9 t -105.86 144.82 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.04 177.29 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -19.21 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.83 -32.89 15.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.795 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 128.15 -26.67 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.0 mttt -44.55 157.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 71' ' ' VAL . 75.2 mtp -148.85 140.99 23.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.49 103.83 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.633 ' O ' HD22 ' A' ' 96' ' ' LEU . 65.1 m-85 -76.25 149.47 37.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 68' ' ' GLY . 44.9 p90 -159.16 169.41 24.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 157.68 -149.04 19.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.893 ' OD1' HD22 ' A' ' 47' ' ' LEU . 6.2 p-10 -172.09 -175.72 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -163.07 157.85 21.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.08 -35.22 32.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.17 156.48 50.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -81.04 -58.79 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -59.92 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 91' ' ' LEU . 82.2 t -60.66 -64.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -41.41 -32.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.83 -51.01 6.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 88' ' ' VAL . 19.6 mt -46.85 -30.13 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.79 -50.54 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -46.29 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.683 HG12 ' CE2' ' A' ' 116' ' ' PHE . 6.8 t -44.45 -46.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 140' ' ' ILE . 8.1 tt -58.03 -49.35 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.707 HD13 ' CE2' ' A' ' 11' ' ' PHE . 45.6 mt -64.38 -28.33 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -75.63 -28.84 58.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -75.19 -17.43 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.98 HG12 ' CD2' ' A' ' 107' ' ' LEU . 32.8 m -114.05 31.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.64 94.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.82 77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -144.67 157.92 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 p -84.72 160.51 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -54.7 -44.31 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.62 -54.33 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -35.7 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.98 ' CD2' HG12 ' A' ' 99' ' ' VAL . 12.0 mt -64.09 -52.78 57.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.94 -22.46 62.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.19 -19.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 107' ' ' LEU . 38.0 tt0 -142.82 108.89 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -62.62 130.44 93.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.97 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 137' ' ' SER . 10.8 mt -64.91 -20.95 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASP . . . -52.44 -61.07 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.94 -59.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.683 ' CE2' HG12 ' A' ' 94' ' ' VAL . 86.7 m-85 -47.94 -37.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -73.69 -49.45 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -57.13 -42.84 81.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 21' ' ' ARG . 15.1 mt -74.25 -31.46 62.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.11 39.98 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 94' ' ' VAL . 18.8 mt -85.37 -50.75 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.709 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -86.56 30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -65.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.51 22.32 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 122' ' ' ARG . 1.9 mt -44.83 120.9 2.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -38.77 149.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.01 -55.01 23.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 m -42.51 -54.44 3.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.57 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -63.42 -46.01 88.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.4 t -47.16 -54.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -35.81 43.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.46 -56.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.47 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -43.52 -47.61 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.49 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.2 m-20 -57.32 -61.05 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.73 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -52.93 -56.79 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.787 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.4 t -65.08 -47.76 76.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 2.0 mm-40 -47.73 -35.3 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.22 -44.19 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.944 ' O ' HG23 ' A' ' 144' ' ' THR . 15.1 mt -74.71 -40.29 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.9 mm -54.42 -47.72 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.25 86.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.02 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 140' ' ' ILE . 47.4 p -54.43 -44.32 72.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -47.39 -33.64 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -49.97 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.71 -40.3 86.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.09 -27.74 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.512 0.196 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 3' ' ' ASN . 9.7 t -60.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -176.24 99.05 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -38.09 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.615 ' O ' HD11 ' A' ' 51' ' ' LEU . 7.1 tt0 -146.52 105.35 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -57.46 155.14 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.744 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . . . -114.93 135.02 54.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.41 -47.95 4.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.744 ' NE2' ' HB3' ' A' ' 7' ' ' ALA . 62.0 m170 65.63 68.5 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.28 11.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 18.9 p90 -69.21 125.53 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -32.55 4.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 m -81.92 -80.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.4 m -103.78 -5.38 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -133.54 70.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.662 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.1 t -100.29 -167.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.99 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -65.79 -44.25 86.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.7 tt0 -63.31 -61.51 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -53.45 -36.24 61.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 16' ' ' THR . 13.6 mt -63.89 -57.71 8.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.882 ' HB3' HD21 ' A' ' 119' ' ' LEU . 5.2 ptm180 -64.87 -25.17 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 20.1 m -77.66 -25.01 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 27' ' ' LEU . 13.6 m-85 -86.6 -24.61 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.2 -51.86 5.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.92 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' A' ' 24' ' ' PHE . 90.8 mt -45.98 94.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.7 m -85.5 -23.66 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -84.96 110.89 19.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ASP . 6.0 t90 -45.18 -46.4 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 107.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -42.12 -27.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' TRP . 42.6 m-20 -64.99 -57.59 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -46.57 -52.18 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 124' ' ' GLN . 0.1 OUTLIER -65.54 -29.8 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -61.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 39' ' ' MET . 25.0 tt0 -54.32 -35.87 63.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.948 HD11 HD22 ' A' ' 121' ' ' LEU . 16.2 mt -55.39 -31.12 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.45 -62.46 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.1 ptt? -46.21 -30.78 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -42.14 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.93 93.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -48.32 -51.8 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -56.01 -50.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' HD2' ' A' ' 45' ' ' PRO . 20.7 tp -54.28 138.62 57.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 148.65 35.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 104.12 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.66 114.78 9.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.6 42.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.05 -25.92 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.69 -45.92 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.04 -39.12 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 11.2 mtmt -53.78 -33.02 54.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.47 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.11 -16.88 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.98 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mtmm -115.84 150.89 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.25 133.41 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.16 113.99 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.4 60.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.26 35.9 1.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.53 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -140.53 -179.06 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -41.59 -37.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.615 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.92 -174.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -41.95 148.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.749 HG11 HD21 ' A' ' 136' ' ' LEU . 77.2 t -144.36 144.42 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.9 m-90 -135.84 136.45 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -154.13 137.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.26 141.2 10.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 78' ' ' HIS . 15.4 p90 -146.49 157.88 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' MET . 6.6 p -140.87 142.39 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG22 ' CG ' ' A' ' 77' ' ' MET . 3.2 t -105.65 162.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.67 -179.18 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.82 -53.07 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.82 -22.63 66.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 92.1 -17.63 56.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.511 ' CG ' HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -77.73 157.95 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 5.2 m-70 -137.73 104.34 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' HB ' ' A' ' 99' ' ' VAL . 76.9 m-85 -84.51 147.32 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 34.7 p90 -165.21 117.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.764 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -153.43 -149.49 5.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.919 ' OD1' HD22 ' A' ' 47' ' ' LEU . 3.9 p-10 -174.98 -176.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -167.16 168.67 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -47.38 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.45 136.65 21.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -59.16 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.2 tp -61.19 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 75.6 t -52.41 -41.98 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -50.9 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.99 10.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' CE2' ' A' ' 116' ' ' PHE . 9.5 mt -46.73 -33.88 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 -54.35 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . -49.13 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 121' ' ' LEU . 1.1 t -40.77 -42.35 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 140' ' ' ILE . 6.6 tt -59.24 -61.38 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -46.7 -29.97 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -74.79 -38.21 62.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -66.88 -16.22 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.054 HG12 HD21 ' A' ' 107' ' ' LEU . 16.2 m -112.12 31.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 37.3 tt0 -55.53 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 37.26 45.89 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 160.55 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.5 p -96.97 146.63 24.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.16 -57.59 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.85 -61.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -45.83 -50.14 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.054 HD21 HG12 ' A' ' 99' ' ' VAL . 29.9 mt -51.4 -55.25 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -60.5 -24.68 65.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.32 -28.9 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -136.35 113.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.1 p -68.17 144.39 96.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.98 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 133' ' ' LEU . 15.2 mt -61.14 -22.07 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.57 74.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.99 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -52.55 -52.6 54.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLY . 74.4 m-85 -50.8 -52.98 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.4 -34.6 75.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.83 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 21' ' ' ARG . 79.2 mt -75.56 -21.93 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.86 43.22 6.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.948 HD22 HD11 ' A' ' 37' ' ' LEU . 13.8 mt -85.55 -37.11 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -67.65 -25.73 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.03 -11.73 42.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 39.1 mt-30 -92.5 -57.07 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 136.59 54.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.0 m -64.91 -174.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.62 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -47.54 50.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.5 t -49.21 -37.29 22.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.447 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 1.5 tt0 -55.82 -20.8 16.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -87.44 -28.36 24.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -65.12 -48.27 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.779 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 9.4 p30 -60.98 -31.78 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -65.55 -37.92 88.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.749 HD21 HG11 ' A' ' 65' ' ' VAL . 6.8 mt -75.73 -37.57 59.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -65.11 -54.37 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 139' ' ' ALA . 8.1 pt-20 -48.97 -32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.4 -41.67 69.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 95' ' ' LEU . 27.5 mt -74.97 -43.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.5 mm -51.46 -50.32 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.85 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.734 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 38.6 p -58.06 -42.7 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -35.91 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -38.98 61.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.79 -55.22 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -48.3 -50.81 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.535 0.207 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -175.06 145.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 172.79 113.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.06 42.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.62 132.21 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -172.34 171.98 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 92.0 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 98.6 0.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -87.92 116.92 67.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -23.2 13.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 3.0 m-30 -73.94 82.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 16' ' ' THR . . . 158.49 -47.75 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.04 -68.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -79.37 -42.47 25.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 15' ' ' VAL . 19.5 t -104.05 73.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -82.46 173.19 12.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.886 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.2 -33.94 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.1 tp10 -73.61 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -44.88 -38.48 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 97' ' ' THR . 5.6 mt -64.31 -42.54 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -62.46 -18.86 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -37.07 65.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.9 m -76.57 -35.3 58.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 14.3 m-85 -86.35 -23.89 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.95 -52.88 5.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.34 89.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' PRO . 6.2 t -86.83 1.63 51.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -105.95 144.5 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -81.47 -40.99 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.6 pt-20 -52.59 -43.24 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -64.74 -48.74 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 16.8 mtmt -54.02 -56.35 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.7 -26.62 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -60.64 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.02 -32.18 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 HD23 ' CD1' ' A' ' 40' ' ' LEU . 9.2 mt -49.86 -39.56 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 86' ' ' ARG . 12.5 mt -60.37 -39.94 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 mtt -70.4 -29.03 65.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.609 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.11 -39.25 55.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.17 -42.52 83.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -50.39 -38.18 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.01 HD21 ' OD2' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 154.96 43.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.12 116.48 15.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.798 HD12 ' HD2' ' A' ' 48' ' ' PRO . 31.4 tp -69.95 117.47 54.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.798 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.98 163.05 36.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.78 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.0 tp10 -44.07 -44.17 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -37.82 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -54.89 -39.17 68.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.18 -21.58 62.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.1 mp0 -83.76 -12.27 55.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.12 -176.21 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.5 154.91 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -84.82 126.96 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.007 ' HB ' HG13 ' A' ' 65' ' ' VAL . 1.3 mm -107.35 162.75 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 58' ' ' ILE . . . -156.66 173.58 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.39 -10.79 62.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HG11 ' A' ' 65' ' ' VAL . 73.7 m -78.45 169.15 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.44 -12.13 49.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -163.37 -179.55 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HB2' ' CH2' ' A' ' 66' ' ' TRP . 4.8 ptt180 -60.73 140.44 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.007 HG13 ' HB ' ' A' ' 58' ' ' ILE . 4.0 p -152.64 165.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.506 ' N ' HG22 ' A' ' 65' ' ' VAL . 18.1 m-90 -142.88 171.11 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.39 126.67 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -127.7 138.93 10.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 70' ' ' THR . 18.7 p90 -144.37 166.7 24.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -158.97 178.01 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.574 HG13 ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -130.69 135.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.51 -164.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -82.27 -30.84 30.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.507 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 111.41 -16.29 26.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 101' ' ' GLY . 1.3 mtmt -44.93 101.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG13 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -71.28 154.65 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -143.26 104.04 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 77.8 m-85 -84.33 154.68 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.669 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.0 p90 -165.42 119.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 82' ' ' ASP . . . -149.95 -170.4 17.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 1.01 ' OD2' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -164.91 160.1 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 18.9 t -150.73 171.88 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -56.75 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.58 141.85 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -73.31 -56.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 mm -62.17 -39.18 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.49 -37.08 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HG2' HD22 ' A' ' 44' ' ' LEU . 3.4 ttt180 -55.23 -53.13 59.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -68.24 -42.81 82.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 87' ' ' ILE . 8.4 mt -47.55 -42.91 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.34 -41.71 93.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -50.12 -49.38 51.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 121' ' ' LEU . 2.4 t -60.92 -34.96 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.91 -57.83 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.68 HD13 ' HG ' ' A' ' 92' ' ' LEU . 5.0 mp -49.07 -26.13 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 18.5 m -75.21 -48.84 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.88 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.963 HG12 HD21 ' A' ' 107' ' ' LEU . 20.2 m -103.26 33.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 100' ' ' GLU . 2.3 tm-20 -55.25 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.49 45.71 2.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.95 162.53 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -91.32 157.42 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -50.15 -46.92 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -47.09 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.029 HD22 HG21 ' A' ' 140' ' ' ILE . 4.0 mt -51.72 -46.31 63.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 141' ' ' ILE . 19.1 mt-30 -75.06 -21.98 58.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.29 61.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -151.18 131.22 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -72.78 145.44 86.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.0 Cg_endo -75.06 -0.82 10.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 mt -79.59 -19.36 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.89 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -41.22 -61.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.422 ' CE1' HG12 ' A' ' 94' ' ' VAL . 91.7 m-85 -45.51 -54.85 6.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -59.76 -41.58 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -61.24 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.54 -20.66 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.37 30.95 53.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 94' ' ' VAL . 99.7 mt -84.61 -21.06 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.431 ' HG2' ' CB ' ' A' ' 125' ' ' LEU . 0.3 OUTLIER -155.68 24.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.84 -28.03 69.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 21.81 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD11 ' CA ' ' A' ' 130' ' ' SER . 0.3 OUTLIER -44.98 159.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 174.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.947 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.85 -61.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.54 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -74.95 -33.09 61.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.576 ' CA ' HD11 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -57.37 -42.19 81.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -49.3 -45.17 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.16 -47.1 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -54.5 -47.82 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 1.1 m-80 -47.85 -54.63 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.35 -56.61 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.0 mt -43.28 -55.72 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 t -63.07 -49.29 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.7 mm-40 -45.83 -35.97 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.05 -35.6 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 1.029 HG21 HD22 ' A' ' 107' ' ' LEU . 37.0 mt -74.08 -42.07 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' A' ' 108' ' ' GLN . 43.3 mm -56.35 -54.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.09 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.52 -47.84 52.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.961 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.7 p -62.54 -45.53 92.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -48.81 -35.36 14.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.12 81.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.14 -43.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -36.9 77.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.51 0.195 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -133.58 162.28 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -106.06 157.06 35.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.22 37.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -128.07 114.09 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -116.49 150.85 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . -40.47 128.29 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.26 -32.61 51.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 15.9 p80 43.15 73.05 1.0 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.01 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -68.38 59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 150.98 44.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.19 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 ' N ' HG22 ' A' ' 13' ' ' THR . 1.9 m -117.21 -34.72 4.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.722 HG13 HD21 ' A' ' 20' ' ' LEU . 67.9 t -92.12 107.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -127.36 155.55 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.452 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.58 -31.55 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.58 -60.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -49.26 -43.63 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.722 HD21 HG13 ' A' ' 15' ' ' VAL . 15.2 mt -63.82 -37.54 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.33 -32.38 56.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.39 -42.36 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -26.47 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CD1' HD12 ' A' ' 27' ' ' LEU . 10.1 m-85 -86.72 -18.6 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.79 -54.41 3.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 -28.18 9.36 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 24' ' ' PHE . 43.0 mt -62.93 -129.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 88.59 4.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.435 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' TRP . 30.0 mt-30 -109.58 112.71 24.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' GLN . 1.3 t90 -37.65 -52.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -51.79 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -70.7 -55.38 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -43.66 -55.97 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 1.7 t80 -58.85 -30.93 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.561 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.19 -32.19 54.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.928 HD21 HD13 ' A' ' 121' ' ' LEU . 8.4 mt -49.19 -36.1 18.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.442 HG23 ' CB ' ' A' ' 86' ' ' ARG . 11.5 mt -68.42 -38.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.7 mmt -62.44 -36.76 83.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -52.4 -28.38 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.27 -54.18 5.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -44.33 -51.72 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.59 -43.39 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 11' ' ' PHE . 1.3 tp -51.53 138.61 29.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.85 39.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.09 116.77 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HD2' ' A' ' 48' ' ' PRO . 26.9 tp -68.82 117.79 54.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -75.01 165.6 30.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -64.87 -55.83 17.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.59 -41.18 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HG3' ' A' ' 50' ' ' GLU . 1.1 mm? -73.98 -39.24 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 28.1 mttt -52.54 -37.64 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.51 61.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -81.22 -13.63 58.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.08 -174.88 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -113.89 147.65 38.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.43 85.05 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.9 mt -66.93 135.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.36 83.81 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 169.97 48.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 56.5 m -134.72 -49.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER 166.4 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.4 m120 -151.11 -175.84 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -50.43 128.21 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 63' ' ' ASN . 61.6 t -129.65 152.98 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 9.7 m-90 -142.88 121.8 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -137.15 137.07 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -142.05 141.19 10.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 70' ' ' THR . 10.5 p90 -155.76 168.1 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 0.799 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 69' ' ' TYR . 4.8 p -156.95 144.41 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 77' ' ' MET . 98.0 t -98.23 132.37 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.26 169.4 10.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -39.65 60.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -69.56 -31.83 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.42 -32.13 5.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 108.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -82.99 164.23 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 104.49 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.417 ' O ' HD23 ' A' ' 96' ' ' LEU . 92.0 m-85 -89.31 148.7 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 55.4 p90 -165.31 121.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -159.25 -162.32 11.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.6 -174.59 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.82 164.31 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -47.41 17.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -69.29 113.28 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' CB ' HG23 ' A' ' 38' ' ' ILE . 4.9 mtt85 -46.0 -55.91 6.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 88' ' ' VAL . 6.3 tp -47.48 -56.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.558 ' N ' HG23 ' A' ' 87' ' ' ILE . 58.5 t -63.05 -24.79 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.8 ttt180 -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.05 -44.87 97.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 116' ' ' PHE . 2.5 mt -50.29 -52.39 36.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.819 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.99 -43.44 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.15 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.737 HG13 ' CD2' ' A' ' 115' ' ' LEU . 2.6 t -42.65 -52.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tt -48.88 -62.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.819 HD13 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mp -52.74 -30.48 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.44 -27.7 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . -74.32 -21.75 59.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.798 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -113.25 24.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -54.96 121.58 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 34.43 72.4 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -144.42 162.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.3 p -92.96 148.74 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.787 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -41.72 -51.12 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.04 -53.77 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -49.71 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.798 HD22 HG12 ' A' ' 99' ' ' VAL . 5.3 mt -50.73 -46.79 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 148' ' ' LEU . 5.7 mt-30 -69.48 -26.72 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.76 -17.83 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 103.94 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.23 134.55 75.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.2 20.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.8 mt -72.41 -19.92 61.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.27 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.91 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.65 -59.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.684 ' CE1' HD23 ' A' ' 91' ' ' LEU . 91.8 m-85 -48.2 -56.84 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -56.54 -32.59 65.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -53.72 37.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 24' ' ' PHE . 63.8 mt -75.66 -13.46 60.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.58 22.93 48.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.928 HD13 HD21 ' A' ' 37' ' ' LEU . 16.2 mt -85.14 -11.38 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 116' ' ' PHE . 5.5 ttp180 -154.53 30.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' HB2' ' HA2' ' A' ' 120' ' ' GLY . . . -65.32 -49.25 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.451 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -131.42 23.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 129' ' ' ARG . 2.7 mt -44.43 128.39 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.4 t -40.68 160.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.1 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 m -45.64 -64.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.615 ' HB3' HD22 ' A' ' 125' ' ' LEU . 1.8 mpt_? -51.67 -55.81 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 26.8 t -48.14 -48.73 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -26.77 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -76.13 -46.16 13.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.638 HD21 HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -55.28 -43.44 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.59 -57.41 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.37 3.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.4 mt -41.26 -56.11 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.663 ' HB2' HD21 ' A' ' 113' ' ' LEU . 40.8 t -62.1 -51.56 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.07 -35.35 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.99 -57.83 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 144' ' ' THR . 34.1 mt -62.45 -36.75 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.7 mm -55.52 -53.41 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.91 77.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.413 ' HB1' ' OH ' ' A' ' 69' ' ' TYR . . . -62.2 -55.59 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.787 HG22 ' CB ' ' A' ' 104' ' ' ALA . 13.5 p -53.87 -44.18 70.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -32.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -45.34 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.35 -49.5 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.543 HD12 ' OE1' ' A' ' 108' ' ' GLN . 3.7 mt -50.18 -54.86 17.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.436 0.16 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -114.28 130.56 56.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -142.35 113.2 6.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 131.73 14.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.58 123.45 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -158.34 163.56 37.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.91 109.38 21.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.78 -69.35 0.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 71.66 98.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 109.583 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.0 -21.51 15.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 2.3 m-30 -64.36 74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 168.05 -57.91 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.8 -80.18 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -58.98 -40.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 16.8 t -103.51 131.38 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.78 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -146.39 164.14 33.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.419 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -52.35 -39.18 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 35.4 tt0 -72.72 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -48.72 -38.27 21.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 13.0 mt -65.19 -31.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.9 ttp85 -67.63 -21.89 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.02 -26.58 62.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 99.3 m -75.14 -44.78 45.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.596 ' HD1' HD12 ' A' ' 27' ' ' LEU . 31.6 m-85 -86.82 -19.06 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.14 -53.33 3.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.818 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.01 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HD1' ' A' ' 24' ' ' PHE . 84.7 mt -49.58 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.9 m -75.81 -22.98 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.78 149.26 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 124' ' ' GLN . 14.1 t90 -86.93 -33.45 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.04 -18.63 61.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' HD13 ' A' ' 27' ' ' LEU . 99.1 m-20 -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.42 -62.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.52 -40.09 74.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -60.94 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 tm0? -57.85 -34.44 69.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.1 mt -46.13 -56.81 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 86' ' ' ARG . 3.3 mt -42.87 -43.82 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.88 95.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -31.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -79.69 -51.86 4.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 mtmt -40.2 -46.06 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.94 -47.2 52.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD13 ' HE2' ' A' ' 11' ' ' PHE . 14.3 tp -55.09 137.87 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 154.36 42.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.97 127.23 83.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 144.97 30.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.88 -25.48 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -64.87 -44.58 89.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.46 -27.66 60.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.03 -34.44 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.73 60.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -82.68 -20.69 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.733 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.49 -167.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -114.35 152.35 31.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -85.14 136.67 33.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -137.52 138.05 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.13 88.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' CA ' ' A' ' 132' ' ' GLY . . . -172.95 42.67 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -47.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 170.22 -31.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.2 m-80 -149.35 165.77 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -37.35 144.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 63' ' ' ASN . 82.0 t -140.04 138.32 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 6.2 m-90 -131.41 136.31 47.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -150.17 135.46 18.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.68 141.72 10.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 42.6 p90 -154.8 170.11 22.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 69' ' ' TYR . 12.4 p -157.99 139.74 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 75' ' ' GLY . 2.3 t -80.87 129.76 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.99 -176.23 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.48 -35.66 81.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -89.84 -27.03 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 131.45 -21.63 4.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.2 mtp -84.74 148.53 26.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -122.84 104.28 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.629 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.672 ' HB2' HG21 ' A' ' 99' ' ' VAL . 81.8 m-85 -86.1 143.92 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 15.7 p90 -164.53 128.67 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -156.62 -154.79 7.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.691 ' OD1' HD22 ' A' ' 47' ' ' LEU . 4.3 p-10 -171.05 -177.32 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -170.8 166.11 7.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -46.55 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.37 116.0 8.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -44.65 -53.52 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mm -59.27 -61.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.75 -43.33 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.522 ' HD3' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -57.21 -49.04 77.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.03 -44.21 98.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 125' ' ' LEU . 19.4 mt -48.87 -42.61 37.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 88.6 mt -53.41 -54.55 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.585 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -38.31 -64.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.513 HG13 HD22 ' A' ' 115' ' ' LEU . 3.0 t -44.0 -43.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -60.81 -51.94 67.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.547 ' HA ' HG22 ' A' ' 99' ' ' VAL . 3.4 mm? -54.72 -32.61 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.7 -31.3 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.98 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.763 HG12 HD21 ' A' ' 107' ' ' LEU . 16.4 m -94.55 31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.6 tm-20 -55.72 91.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.57 44.75 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -95.27 162.25 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.3 p -94.06 146.97 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.794 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -40.07 -57.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.45 -51.74 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -54.97 12.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.763 HD21 HG12 ' A' ' 99' ' ' VAL . 10.0 mt -47.45 -48.65 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.42 -29.69 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.31 -19.64 53.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 109.42 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 142.92 98.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.41 15.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 116' ' ' PHE . 17.6 mt -78.86 -40.63 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . . . -40.18 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -64.56 -54.05 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CE2' HD21 ' A' ' 133' ' ' LEU . 25.6 m-85 -49.18 -42.94 41.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -71.13 -28.62 64.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -59.03 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 21' ' ' ARG . 9.0 mt -75.25 -26.03 58.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.06 43.77 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.8 mt -85.5 -26.51 26.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.737 ' HA ' HD12 ' A' ' 125' ' ' LEU . 5.5 ttt180 -70.7 -20.89 62.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.19 -40.13 46.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 18.7 mm-40 -79.09 -33.35 44.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 122' ' ' ARG . 53.1 mt -61.51 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.57 174.12 11.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.19 -58.27 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.14 -71.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.465 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -52.0 -45.39 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.7 p -46.61 -44.74 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.498 ' HA ' ' OD1' ' A' ' 134' ' ' ASN . 4.3 tt0 -51.11 -26.41 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.26 -31.07 17.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.498 ' OD1' ' HA ' ' A' ' 131' ' ' GLN . 0.9 OUTLIER -75.03 -34.63 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.416 ' N ' ' ND2' ' A' ' 134' ' ' ASN . . . -64.34 -37.85 88.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.5 mt -75.08 -42.58 56.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -65.91 -53.4 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.6 -31.54 25.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.99 -44.21 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 107' ' ' LEU . 21.3 mt -75.81 -37.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.4 mm -58.85 -46.33 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.08 -55.68 13.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 104' ' ' ALA . 7.8 p -50.0 -36.2 27.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -34.82 70.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -41.5 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.16 -53.14 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 148' ' ' LEU . 3.0 mt -45.34 -47.26 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' C ' HG23 ' A' ' 2' ' ' THR . 3.7 mtm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 1' ' ' MET . 46.3 p -149.95 178.99 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.09 145.65 46.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 1.2 pt20 -146.87 112.01 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -177.4 171.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.33 146.24 50.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.26 87.84 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -94.65 141.46 23.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.67 21.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.816 ' CZ ' ' HB1' ' A' ' 93' ' ' ALA . 20.0 m-85 -73.02 70.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.91 44.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.92 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 13' ' ' THR . 2.0 m -119.09 -36.25 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.423 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.31 87.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.852 ' HA ' HG23 ' A' ' 97' ' ' THR . 1.0 OUTLIER -104.88 179.59 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -61.37 -26.93 68.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.63 -61.32 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -48.69 -42.19 34.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 97' ' ' THR . 5.8 mt -63.02 -40.83 98.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' CG ' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.95 -23.33 65.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -67.97 -23.0 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -84.48 -36.24 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 28.7 m-85 -86.05 -26.38 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.68 -53.44 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.824 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.0 Cg_endo -75.07 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.812 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 21.9 mt -58.67 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -78.9 -22.57 45.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.62 115.16 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.519 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.4 t-105 -48.11 -44.23 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 107.989 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.63 -36.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ARG . 73.9 m-20 -64.64 -57.2 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 12.8 mttt -44.17 -57.51 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.53 -23.74 66.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -75.49 -63.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.4 tp-100 -55.01 -40.13 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' LEU . 13.5 mt -43.75 -50.83 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 34' ' ' TYR . 3.6 mt -54.08 -38.88 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' GLN . 1.8 mtt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.17 -30.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 -42.53 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -46.19 -54.45 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -44.64 -44.23 8.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.6 131.91 77.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.03 40.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 99.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -55.47 125.96 61.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.13 41.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 tp10 -56.38 -45.36 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -36.26 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.33 -37.65 70.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.58 62.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -86.61 -10.52 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -179.49 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.72 148.82 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.62 137.22 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.2 mt -135.22 110.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.0 89.82 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.92 33.9 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.33 -172.32 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -36.38 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 65' ' ' VAL . 74.0 m-20 -162.49 -178.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.46 148.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' ASN . 81.6 t -144.65 128.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 14.6 m-90 -120.27 145.55 46.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.44 132.08 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -140.89 140.22 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 9.8 p90 -149.12 170.64 17.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 69' ' ' TYR . 15.6 p -152.9 137.54 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 77' ' ' MET . 97.1 t -90.33 142.63 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.29 178.94 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -29.75 70.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -83.6 -8.91 59.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 102.37 -20.53 44.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -45.09 163.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.88 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -151.5 156.01 39.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -143.03 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.768 ' O ' HD12 ' A' ' 96' ' ' LEU . 72.7 m-85 -81.01 151.97 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 28.7 p90 -165.42 119.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -150.73 -149.32 5.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -174.57 170.17 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 t -156.9 167.1 31.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -51.57 6.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.75 155.4 1.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -59.33 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.38 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.55 -50.51 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.764 ' O ' HD23 ' A' ' 92' ' ' LEU . 22.5 ttm180 -46.56 -55.98 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.43 -45.52 94.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 125' ' ' LEU . 3.2 mt -48.87 -44.21 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -60.91 -55.32 34.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.816 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -39.01 -57.92 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -46.78 -44.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 140' ' ' ILE . 7.9 tt -56.98 -48.71 77.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 79' ' ' PHE . 3.1 mm? -56.91 -30.23 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.852 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.3 m -76.83 -31.24 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.43 -31.3 60.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG12 HD21 ' A' ' 107' ' ' LEU . 20.7 m -92.04 30.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 48.59 41.94 26.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -93.77 162.14 14.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.3 p -104.9 152.02 23.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.888 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -40.79 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.57 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.49 -52.9 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.765 HD21 HG12 ' A' ' 99' ' ' VAL . 12.1 mt -47.91 -44.18 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.23 -28.02 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.64 -23.85 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -146.36 116.93 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.8 p -70.51 143.54 90.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.24 18.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.826 HD13 ' NH2' ' A' ' 122' ' ' ARG . 7.6 mt -62.66 -28.68 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -48.91 -60.19 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -38.74 -61.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.63 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 94.9 m-85 -46.96 -51.76 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.43 -38.49 87.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.91 75.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.552 HD23 ' CG ' ' A' ' 21' ' ' ARG . 17.8 mt -74.73 -26.21 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.18 40.91 8.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.683 ' CD1' HG21 ' A' ' 94' ' ' VAL . 21.8 mt -85.02 -54.25 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.826 ' NH2' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.519 ' HG2' ' CE2' ' A' ' 30' ' ' TRP . 1.5 mm-40 -82.86 -37.33 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 91' ' ' LEU . 11.8 mt -48.94 133.22 18.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 173.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.73 -50.39 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.39 -58.34 5.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -46.05 77.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 p -48.66 -35.99 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.59 -29.05 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -67.59 -58.97 7.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.732 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -45.59 -47.36 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -49.3 -39.93 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -64.59 -35.23 80.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 43.6 mt -72.94 -41.51 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.626 ' HB2' HD21 ' A' ' 113' ' ' LEU . 24.9 t -57.65 -54.36 47.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.16 -27.76 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -58.25 -37.21 74.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.706 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 32.2 mt -74.74 -47.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.5 mm -51.09 -49.55 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.831 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -73.49 -45.51 53.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.888 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 29.3 p -63.99 -44.31 93.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.417 ' H ' ' HG1' ' A' ' 144' ' ' THR . 11.8 mmtt -48.33 -40.75 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.76 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 71' ' ' VAL . 94.4 t -73.64 -49.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.613 ' N ' HD23 ' A' ' 148' ' ' LEU . 3.2 mt -50.8 -43.89 58.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.449 0.166 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -46.28 159.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.03 151.95 59.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.25 16.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.74 130.14 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -143.54 106.7 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -179.84 60.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.35 52.48 4.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -57.59 115.21 10.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.618 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.705 ' HE2' HD13 ' A' ' 44' ' ' LEU . 3.8 m-85 -73.78 61.46 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.4 -36.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 14' ' ' THR . 2.1 m -105.42 -89.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 13' ' ' THR . 5.9 m -54.17 -47.37 72.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 3.3 t -96.77 103.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.683 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -121.56 -179.49 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -63.46 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.61 -61.17 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -49.63 -46.51 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 24.2 mt -58.15 -35.55 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -61.39 -28.44 69.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -34.51 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -73.27 -35.84 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.716 ' HD2' HD22 ' A' ' 119' ' ' LEU . 46.4 m-85 -85.94 -23.07 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.48 -54.74 3.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 -42.59 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.76 98.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -98.15 -16.19 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.99 115.76 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.418 ' CE2' ' HB3' ' A' ' 123' ' ' ALA . 19.8 t90 -43.35 -44.59 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 10.6 pt-20 -40.41 -48.03 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 67.1 m-20 -65.02 -46.34 81.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -52.39 -53.36 45.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.1 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 38' ' ' ILE . 9.6 ttt85 -73.92 -56.55 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 52.8 tp60 -57.16 -42.2 80.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 121' ' ' LEU . 10.2 mt -43.39 -47.43 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.856 HG23 ' HB3' ' A' ' 86' ' ' ARG . 7.9 mt -54.27 -42.57 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -60.5 -43.15 97.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -45.41 -32.87 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -70.78 -47.1 41.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -43.32 -48.25 6.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -50.54 56.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 ' HE2' ' A' ' 11' ' ' PHE . 28.6 tp -51.08 126.16 25.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.02 152.26 40.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.43 102.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 115.0 7.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.225 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -47.52 77.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -45.08 -46.53 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -44.93 54.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 1.1 mtmt -53.1 -32.44 47.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.16 -28.34 60.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -81.04 -17.08 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.98 176.55 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.9 OUTLIER -107.41 153.54 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -85.02 129.8 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' HB ' HG12 ' A' ' 65' ' ' VAL . 4.5 mt -128.7 152.02 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.09 86.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.99 52.91 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' CA ' ' A' ' 132' ' ' GLY . 4.9 m -146.37 -48.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 172.66 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.685 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 m-20 -148.75 173.12 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -37.89 146.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 63' ' ' ASN . 95.6 t -142.32 150.78 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' ' HD3' ' A' ' 52' ' ' LYS . 7.6 m-90 -143.21 144.03 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -146.91 132.6 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -146.46 137.44 6.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.507 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 14.0 p90 -149.35 160.1 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -146.23 140.28 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.04 141.66 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.21 -175.01 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.37 -39.87 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.0 p-10 -85.85 -28.15 24.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.05 -19.08 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -44.68 100.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -85.74 161.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -142.93 104.36 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.945 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 64.5 m-85 -85.16 152.98 22.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.897 ' HA ' HD21 ' A' ' 96' ' ' LEU . 2.2 p90 -165.73 170.21 14.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.061 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.31 -151.78 20.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.135 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 2.8 p-10 -172.9 164.68 5.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.441 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 5.6 t -154.95 158.25 38.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -46.42 27.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -52.63 121.97 17.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.856 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.33 -59.1 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.9 -55.94 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 91' ' ' LEU . 38.2 t -47.32 -35.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 83' ' ' SER . 7.5 ttt85 -70.6 -44.19 67.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.32 -42.29 90.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 88' ' ' VAL . 64.5 mt -50.18 -39.94 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mt -46.84 -49.75 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.826 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -48.51 -67.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 121' ' ' LEU . 5.7 t -47.81 -37.32 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.019 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -65.06 -55.52 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.897 HD21 ' HA ' ' A' ' 80' ' ' PHE . 8.8 mp -61.3 -25.87 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.45 -31.1 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.84 64.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 140' ' ' ILE . 24.9 m -103.78 32.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.26 80.9 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -144.78 158.23 43.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.9 p -75.62 146.3 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -52.72 -37.8 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -30.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.622 ' CD2' HG12 ' A' ' 99' ' ' VAL . 8.9 mt -64.19 -40.73 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' ALA . 5.3 mt-30 -71.53 -27.02 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.22 -29.21 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -102.71 119.6 39.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 114' ' ' ALA . 78.8 p -75.65 113.94 31.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.91 2.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 137' ' ' SER . 13.3 mt -59.26 -31.5 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.425 ' HB2' ' OG ' ' A' ' 111' ' ' SER . . . -50.57 -43.6 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -50.16 -59.73 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 94' ' ' VAL . 76.2 m-85 -46.2 -52.35 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -63.04 -36.46 83.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -48.48 78.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 24' ' ' PHE . 53.0 mt -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.39 35.37 8.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.715 HD11 HG21 ' A' ' 94' ' ' VAL . 22.3 mt -84.25 -42.9 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.735 ' HG3' HD23 ' A' ' 125' ' ' LEU . 24.6 ttp180 -86.78 29.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 30' ' ' TRP . . . -43.52 -64.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.06 27.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.735 HD23 ' HG3' ' A' ' 122' ' ' ARG . 0.3 OUTLIER -44.37 142.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.631 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -38.62 136.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -77.06 -58.92 3.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -50.08 -28.53 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.494 ' CA ' HD11 ' A' ' 125' ' ' LEU . 5.0 t -51.39 -31.49 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -18.51 51.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -78.19 -57.15 3.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.59 -38.77 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 138' ' ' GLU . . . -64.03 -49.01 74.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.633 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.1 mt -63.73 -36.12 82.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.478 ' HB2' HD21 ' A' ' 113' ' ' LEU . 2.8 t -60.68 -59.86 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 135' ' ' ALA . 7.8 pt-20 -51.35 -29.08 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.97 82.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 1.026 ' O ' HG23 ' A' ' 144' ' ' THR . 16.4 mt -72.35 -36.32 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.8 mm -62.26 -56.04 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.83 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.18 -49.5 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 140' ' ' ILE . 28.9 p -65.47 -48.02 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -27.65 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.28 -49.85 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.59 -34.39 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 148' ' ' LEU . 8.0 mt -63.22 -53.86 46.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -174.57 159.6 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -164.69 91.4 0.99 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.97 112.67 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -177.23 152.77 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.46 117.42 4.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.1 75.56 0.28 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -82.92 152.08 65.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -13.3 21.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HE2' HD12 ' A' ' 44' ' ' LEU . 17.0 m-85 -65.39 85.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.02 -35.96 2.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -90.54 -34.36 15.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 0.731 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -112.86 -35.07 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.6 m -125.53 89.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m -79.82 171.86 14.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.836 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -53.91 -26.59 25.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 26.8 tt0 -81.61 -62.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -43.29 -35.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 97' ' ' THR . 1.2 mt -65.75 -50.12 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -64.32 -18.97 65.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -70.21 -40.42 74.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 2.0 m -75.68 -32.07 59.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 21.8 m-85 -86.27 -21.42 27.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.805 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.08 -54.21 3.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.805 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.01 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 18.8 mt -64.97 92.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -88.55 -21.28 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.69 128.97 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CH2' ' HB3' ' A' ' 124' ' ' GLN . 6.4 t90 -56.95 -40.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -47.56 -35.32 8.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 71.0 m-20 -70.1 -57.27 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -53.38 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.03 -37.4 74.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -56.63 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -55.7 -40.4 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -47.47 -48.42 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 86' ' ' ARG . 10.4 mt -54.66 -37.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mtt -73.6 -26.14 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.79 -23.25 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.89 -46.16 9.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -45.69 -39.5 8.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -59.97 -47.79 84.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.37 131.61 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.57 31.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.767 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.23 113.15 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' A' ' 48' ' ' PRO . 22.6 tp -67.83 123.37 86.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.99 158.94 41.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.61 -38.83 92.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.27 -42.6 81.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.59 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.1 mtmt -55.95 -40.96 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.68 -17.35 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.7 17.05 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.91 -171.35 2.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -119.79 149.17 42.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.8 117.8 24.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 3.4 mm -87.96 158.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.74 102.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.05 -33.5 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ASN . 42.2 m -74.52 176.37 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -38.49 -31.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.7 m-20 -164.41 177.37 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -53.14 143.33 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 12.5 t -139.41 129.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 17.6 m-90 -98.28 126.12 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.8 tt -143.65 144.41 31.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -158.97 159.08 30.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.585 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 35.9 p90 -167.49 164.33 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -140.72 138.62 34.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.525 HG12 ' HA2' ' A' ' 75' ' ' GLY . 6.1 t -82.45 122.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -178.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -35.81 82.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 11.0 p-10 -86.03 -29.41 23.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.525 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 133.07 -26.03 3.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -44.56 103.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.444 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.1 mtp -85.48 156.11 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -139.41 118.14 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 140' ' ' ILE . 25.1 m-85 -102.1 150.87 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 26.0 p90 -166.48 113.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -148.91 -148.24 4.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.445 ' CG ' HD23 ' A' ' 47' ' ' LEU . 35.4 p-10 -163.89 -170.4 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -156.54 154.31 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -80.77 -37.13 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.4 176.23 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -88.58 -58.31 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.351 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.498 HG22 HD12 ' A' ' 91' ' ' LEU . 24.3 mm -45.42 -66.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.4 t -47.56 -36.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 1.7 ttt180 -54.97 -51.58 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.52 -50.74 53.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.909 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -45.62 -44.99 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.58 -58.82 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.88 -64.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 116' ' ' PHE . 2.2 t -41.45 -51.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.6 tt -53.29 -55.92 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -56.84 -30.35 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 20' ' ' LEU . 17.8 m -75.7 -32.1 59.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.26 -32.63 61.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.055 HG12 HD21 ' A' ' 107' ' ' LEU . 35.0 m -92.31 32.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.33 99.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.94 45.47 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -94.76 162.69 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.6 p -101.78 155.02 18.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.511 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -46.57 -53.25 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -49.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -45.83 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.055 HD21 HG12 ' A' ' 99' ' ' VAL . 9.7 mt -51.67 -41.18 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 34.2 mt-30 -73.23 -28.64 62.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.89 59.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.45 110.32 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -75.11 152.51 86.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.52 8.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.23 -25.12 61.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.41 -58.29 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.836 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.89 -61.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CE1' HD23 ' A' ' 91' ' ' LEU . 10.5 m-85 -44.83 -51.37 9.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.12 -52.72 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.51 -57.18 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.97 -31.09 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.92 37.66 5.98 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.47 HD22 HD11 ' A' ' 37' ' ' LEU . 67.9 mt -85.26 -68.53 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -86.66 25.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.16 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.485 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -109.9 23.68 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 126' ' ' SER . 1.1 pp -55.41 -167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.822 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -164.91 170.28 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.18 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -70.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.3 mmt180 -51.35 -46.61 62.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -43.06 -64.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -24.04 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -80.36 -53.01 4.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.12 -37.82 69.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.81 -56.11 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.87 -59.1 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -44.55 -58.93 2.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 140' ' ' ILE . 41.4 t -56.35 -51.58 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -41.4 -38.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -51.0 -45.09 61.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 144' ' ' THR . 3.5 mt -75.23 -46.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 141' ' ' ILE . 5.9 mm -53.13 -39.41 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.05 88.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.585 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.92 -48.01 67.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 140' ' ' ILE . 67.6 p -51.85 -40.74 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -58.01 -37.35 74.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.05 59.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 71' ' ' VAL . 93.5 t -69.69 -56.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 148' ' ' LEU . 6.7 mt -46.35 -46.67 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.53 0.205 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 2' ' ' THR . 15.3 t -158.01 57.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -117.58 164.28 20.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -128.54 119.88 25.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.29 175.39 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 -65.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.78 -42.26 3.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 80' ' ' PHE . 5.5 m80 -50.4 118.08 8.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -74.99 75.11 3.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HE2' HD12 ' A' ' 44' ' ' LEU . 56.2 m-85 -154.33 57.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.52 -29.48 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -99.16 -60.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -91.47 -45.64 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG13 ' HG ' ' A' ' 20' ' ' LEU . 7.5 t -87.5 97.12 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -108.69 165.71 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -48.88 -25.06 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tt0 -76.61 -54.82 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -59.18 -37.94 78.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 97' ' ' THR . 2.5 mt -65.85 -57.41 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -59.36 -18.9 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -30.14 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -85.73 -32.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 36.1 m-85 -85.42 -25.43 26.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.23 -54.18 3.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.98 -43.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 32' ' ' ASP . 37.0 mt -66.49 88.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 28' ' ' THR . 88.3 m -90.69 19.93 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -119.96 120.38 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -54.42 -39.5 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -52.91 -36.73 59.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.35 -56.32 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 9.6 mttt -45.97 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.813 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -52.55 -31.95 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -62.28 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -22.63 42.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 121' ' ' LEU . 14.3 mt -58.99 -48.82 80.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.5 mp -51.31 -35.65 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtt -75.5 -32.97 60.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -49.89 -32.16 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -41.79 91.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -47.04 -50.43 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -49.52 -35.58 20.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD12 ' HE2' ' A' ' 11' ' ' PHE . 3.7 tp -60.15 127.78 86.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.28 43.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.07 98.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.725 HD22 ' OD1' ' A' ' 82' ' ' ASP . 2.9 tp -61.43 128.48 89.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.51 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.96 138.15 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.68 -25.06 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -63.74 -42.76 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -74.52 -29.29 61.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 9.0 mttt -58.91 -34.42 71.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.63 -14.71 60.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -90.85 -10.72 41.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.47 -174.03 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -123.64 148.47 46.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.19 86.43 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 58' ' ' ILE . 1.2 mt -65.5 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.98 169.86 11.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.44 -26.85 13.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.83 -176.36 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -49.02 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 m120 -155.53 -172.72 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' CH2' ' A' ' 66' ' ' TRP . 17.0 ptp180 -53.88 119.3 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' ILE . 40.1 t -115.25 130.04 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.527 ' CH2' ' HG3' ' A' ' 64' ' ' ARG . 22.7 m-90 -108.56 118.39 36.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.655 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 3.1 tt -135.03 144.98 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -142.5 157.42 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.453 ' CE1' ' HB1' ' A' ' 143' ' ' ALA . 25.7 p90 -159.45 151.18 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' MET . 3.3 p -146.89 146.4 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -94.7 139.09 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.76 -162.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.88 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.3 p-10 -73.88 -30.32 62.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 127.34 -12.42 6.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -44.04 108.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 70' ' ' THR . 44.8 mtp -81.97 143.24 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.574 ' O ' ' CE2' ' A' ' 80' ' ' PHE . 2.1 m80 -123.1 104.33 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.749 ' CE2' HG23 ' A' ' 140' ' ' ILE . 84.5 m-85 -90.21 141.86 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 78' ' ' HIS . 2.6 p90 -166.35 132.67 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -160.16 -155.46 7.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.725 ' OD1' HD22 ' A' ' 47' ' ' LEU . 19.2 p-10 -174.42 115.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.754 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.543 ' HB2' HD11 ' A' ' 92' ' ' LEU . 44.3 t -86.0 171.48 11.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.04 -48.08 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.79 152.77 52.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.45 -29.92 57.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.483 HG22 ' CD1' ' A' ' 91' ' ' LEU . 25.4 mm -68.6 -67.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -46.07 -43.51 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.846 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.01 -55.4 5.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -62.51 -44.52 97.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.94 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -50.15 -48.4 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.8 mt -47.3 -43.51 22.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.4 -70.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 121' ' ' LEU . 21.0 t -43.25 -52.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.8 tt -52.0 -58.79 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -57.73 -29.03 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.991 HG21 HD12 ' A' ' 20' ' ' LEU . 19.1 m -75.46 -33.86 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -74.67 -32.55 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.914 HG12 ' CD2' ' A' ' 107' ' ' LEU . 30.7 m -96.26 32.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' GLY . 9.1 pt-20 -56.19 104.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 35.48 47.24 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -95.29 151.44 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 p -87.16 148.03 25.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.21 -53.63 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.25 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.91 -47.61 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.914 ' CD2' HG12 ' A' ' 99' ' ' VAL . 20.1 mt -54.02 -45.07 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' CD ' HD12 ' A' ' 148' ' ' LEU . 13.4 mt-30 -63.01 -34.28 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.95 -14.4 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -115.21 -173.55 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -163.85 131.76 2.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.753 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -74.96 -27.14 10.34 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 133' ' ' LEU . 7.7 mt -55.24 -26.12 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.13 -54.4 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.04 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.24 -50.25 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.94 ' CE1' HD23 ' A' ' 91' ' ' LEU . 48.7 m-85 -53.99 -55.28 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.11 -40.03 92.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -52.04 67.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 21' ' ' ARG . 45.0 mt -73.8 -24.49 59.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 94.1 24.07 20.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.929 HD22 HD11 ' A' ' 37' ' ' LEU . 84.4 mt -83.02 2.98 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.442 ' HG3' HD12 ' A' ' 133' ' ' LEU . 11.2 ttp180 -154.74 30.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.67 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.4 21.96 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 129' ' ' ARG . 2.9 mt -44.9 122.5 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 129' ' ' ARG . 0.3 OUTLIER -39.42 147.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.17 -62.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -56.41 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.672 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -52.36 -54.02 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.8 m -45.34 -55.06 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.81 -28.06 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -68.39 -52.37 26.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 116' ' ' PHE . 0.9 OUTLIER -50.89 -53.63 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.27 -58.32 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.86 -61.84 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.593 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.8 mt -42.52 -59.09 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.49 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.5 t -51.55 -51.32 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -46.26 -34.99 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.46 -35.55 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 1.034 ' O ' HG23 ' A' ' 144' ' ' THR . 11.6 mm -75.15 -40.62 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.47 -54.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.53 -36.06 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 69' ' ' TYR . . . -71.82 -48.22 47.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . 1.034 HG23 ' O ' ' A' ' 140' ' ' ILE . 52.0 p -62.83 -44.25 96.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -38.4 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -59.25 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.26 -57.28 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.493 HD12 ' CD ' ' A' ' 108' ' ' GLN . 2.9 mt -48.61 -36.89 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.532 0.206 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -134.88 148.52 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -104.7 154.64 38.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 156.39 42.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -132.09 118.69 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.08 173.27 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.37 -68.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.01 172.05 12.42 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.625 ' HB2' HD12 ' A' ' 44' ' ' LEU . 1.1 t-80 63.95 114.42 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 50.28 2.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -72.03 60.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.87 -34.53 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -97.9 -84.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.412 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 -48.48 54.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 15' ' ' VAL . 27.5 t -89.35 79.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.536 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -94.04 168.34 11.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.77 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -58.72 -23.33 59.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 24.6 tt0 -82.05 -59.75 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.8 m -46.92 -33.71 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 97' ' ' THR . 0.9 OUTLIER -62.69 -54.37 40.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -60.4 -18.67 52.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -66.38 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -83.64 -29.85 27.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 28.1 m-85 -86.45 -24.39 25.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.86 -52.78 3.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 -32.33 5.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 24' ' ' PHE . 20.1 mt -72.1 88.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 m -84.32 -21.6 30.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.77 119.37 23.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -54.61 -29.65 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.37 -32.7 72.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.04 -56.59 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HB3' HD21 ' A' ' 121' ' ' LEU . 10.5 mttt -46.75 -62.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.81 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.75 -31.65 49.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -23.1 37.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.105 HD11 HD22 ' A' ' 121' ' ' LEU . 12.4 mt -58.29 -44.17 88.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.09 -32.91 51.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmt -75.26 -28.39 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD21 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.79 -40.69 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.59 88.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.16 -45.72 53.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.85 -42.31 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 9' ' ' HIS . 10.5 tp -60.19 133.81 90.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.46 35.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.83 107.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 48' ' ' PRO . 6.3 tp -63.81 133.84 95.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.93 152.48 41.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -60.58 -44.09 96.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.36 -29.69 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' HD23 ' A' ' 47' ' ' LEU . 10.1 mttt -58.57 -34.5 71.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.52 60.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -87.96 -17.37 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -93.71 -169.41 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.1 mtmm -114.01 150.05 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 133.17 34.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.491 ' HB ' HG12 ' A' ' 65' ' ' VAL . 7.7 mt -131.46 133.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.23 -170.67 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.77 -16.87 43.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.64 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -38.15 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 65' ' ' VAL . 26.0 m120 -157.15 178.04 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.64 150.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 63' ' ' ASN . 92.6 t -145.27 145.51 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.8 m-90 -138.3 146.46 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -158.97 132.97 7.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -136.86 150.65 20.66 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' THR . 44.2 p90 -156.28 174.11 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 69' ' ' TYR . 9.2 p -158.57 146.37 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.696 HG22 ' SD ' ' A' ' 77' ' ' MET . 2.4 t -109.37 163.99 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.44 -171.9 3.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -51.81 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -63.98 -12.72 40.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.551 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 84.13 -12.83 52.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -48.1 156.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.696 ' SD ' HG22 ' A' ' 71' ' ' VAL . 84.9 mtp -150.53 140.34 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.42 104.18 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 87.7 m-85 -74.87 147.45 41.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 31.4 p90 -157.39 123.05 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.6 -159.75 9.21 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -166.24 173.82 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 92' ' ' LEU . 3.2 t -157.31 168.95 25.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -40.25 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.02 131.64 50.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.4 77.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 87' ' ' ILE . 3.6 tp -81.7 -48.33 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 94.5 t -52.74 -46.31 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.3 ttt180 -45.02 -55.05 5.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.71 89.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.42 -41.9 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 89' ' ' ARG . 2.9 mt -59.96 -52.69 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG13 HD22 ' A' ' 115' ' ' LEU . 2.1 t -47.98 -46.39 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.498 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.4 tt -59.12 -58.96 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.2 mt -52.79 -29.89 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 20' ' ' LEU . 2.7 m -75.63 -28.15 58.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -73.67 -31.33 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.047 HG12 HD21 ' A' ' 107' ' ' LEU . 13.0 m -92.9 32.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 2.0 pt-20 -55.55 100.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 39.58 43.53 2.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HE2' ' NE2' ' A' ' 110' ' ' GLN . 20.8 mttp -88.76 165.12 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.8 p -106.08 155.95 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -45.07 -54.32 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.35 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -47.46 -52.48 16.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.047 HD21 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -49.43 -46.27 47.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.42 -33.82 76.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.01 -0.61 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.424 ' NE2' ' HE2' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -134.11 -173.19 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -163.97 128.56 1.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.755 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.99 -8.31 19.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 133' ' ' LEU . 14.8 mt -76.32 -28.2 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.07 96.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.77 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -50.47 -53.79 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.448 ' CD1' HG11 ' A' ' 94' ' ' VAL . 21.6 m-85 -50.0 -53.75 24.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.53 -38.9 91.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -56.49 21.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 21' ' ' ARG . 93.0 mt -64.43 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.22 30.88 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.105 HD22 HD11 ' A' ' 37' ' ' LEU . 95.8 mt -85.78 -102.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.702 ' HD2' HD12 ' A' ' 125' ' ' LEU . 2.3 ttt-85 39.15 28.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -67.99 -43.83 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 124' ' ' GLN . 0.4 OUTLIER -73.91 -60.27 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.915 HD13 ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -62.21 85.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -153.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.57 -55.03 6.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.1 t -81.29 -37.98 27.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -22.97 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.6 t -55.7 -28.18 54.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -29.31 48.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -68.2 -56.2 11.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.915 ' CD1' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -49.84 -46.94 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -43.54 -31.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -64.82 -48.66 73.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 3.5 mt -64.73 -38.69 91.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.3 t -62.19 -59.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.02 -27.46 32.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.17 -42.4 90.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 33.8 mt -75.48 -36.29 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.53 -51.95 67.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.74 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.32 -61.6 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.9 p -51.77 -36.06 46.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -55.13 -30.87 60.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.42 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.662 ' CG2' HG21 ' A' ' 71' ' ' VAL . 73.9 t -62.47 -53.62 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.7 -53.02 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.519 0.2 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.45 149.92 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -174.6 95.38 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.75 13.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.446 1.761 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -146.12 -166.69 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -179.46 172.37 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.33 95.0 0.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 14.2 p80 -165.34 130.84 1.99 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.784 . . . . 0.0 109.574 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.704 ' HB2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.07 -79.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.674 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.2 m-85 31.77 91.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.25 -42.1 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -65.75 -56.77 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -114.85 -28.99 6.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 10' ' ' PRO . 16.1 m -111.93 90.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.61 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -94.47 164.91 12.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.026 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -49.1 -36.41 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 tt0 -71.02 -61.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 m -42.7 -38.47 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 97' ' ' THR . 1.4 mt -65.51 -51.66 58.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.35 -21.01 64.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 m-20 -72.41 -34.2 67.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.731 HG21 ' OE1' ' A' ' 36' ' ' GLN . 85.2 m -77.4 -34.24 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.688 ' HD2' HD22 ' A' ' 119' ' ' LEU . 16.7 m-85 -85.85 -23.66 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.816 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.89 -53.62 7.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.816 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.09 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.8 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.32 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' OE1' ' A' ' 29' ' ' GLN . 15.1 t -75.99 -25.2 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' OE1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -78.81 105.2 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.536 ' CD2' ' NE2' ' A' ' 124' ' ' GLN . 2.8 t90 -44.35 -42.22 6.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.051 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.37 -35.82 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -64.76 -57.09 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -42.78 -63.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.3 t80 -52.88 -30.9 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -62.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.731 ' OE1' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -56.41 -18.79 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 34' ' ' TYR . 13.1 mt -64.02 -38.53 91.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -65.16 -34.4 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.39 -43.99 92.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -45.47 -50.33 12.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.3 -53.42 13.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -38.55 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.86 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -59.72 138.99 89.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.98 161.47 38.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.03 106.45 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -54.73 127.37 60.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.03 167.83 26.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -43.94 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.0 pt-20 -51.75 -42.98 62.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -33.51 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 mtmt -55.51 -33.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.02 -21.58 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.03 -20.28 45.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.92 -168.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtmm -113.0 150.34 32.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.28 129.05 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' VAL . 8.0 mt -127.22 114.91 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.7 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.58 35.76 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -141.36 -171.24 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' A' ' 88' ' ' VAL . 4.0 mm-40 -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 t-20 -174.5 -175.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -42.65 144.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 136' ' ' LEU . 96.2 t -138.46 129.5 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 64' ' ' ARG . 2.5 m-90 -117.78 139.54 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -158.27 134.11 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.39 151.27 21.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' THR . 30.3 p90 -154.21 160.88 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' TYR . 20.4 p -157.47 156.37 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -108.62 140.36 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.28 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.02 69.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -25.02 23.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.818 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 109.6 -22.24 24.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.75 107.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -75.96 157.52 33.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -140.83 104.15 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.78 ' CD1' HG21 ' A' ' 99' ' ' VAL . 69.7 m-85 -84.55 149.49 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 21.5 p90 -165.5 117.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -150.79 -153.03 6.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.611 ' OD1' HD22 ' A' ' 47' ' ' LEU . 9.0 p-10 -170.07 -171.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.01 145.17 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 25.34 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -113.6 176.6 17.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -90.42 -59.42 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 mm -78.98 -44.27 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 62' ' ' GLU . 60.0 t -50.07 -37.6 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.768 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.0 ttt180 -61.67 -37.49 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.44 -42.57 27.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.937 HD23 ' CE1' ' A' ' 116' ' ' PHE . 5.6 mt -50.9 -49.47 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.32 -52.27 28.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.25 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.2 t -39.74 -46.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.942 HD21 HD11 ' A' ' 140' ' ' ILE . 10.1 tt -58.15 -56.45 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -52.58 -30.63 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 20' ' ' LEU . 1.8 m -75.03 -27.91 60.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.6 64.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.905 HG12 HD22 ' A' ' 107' ' ' LEU . 17.6 m -95.24 31.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.09 82.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -144.73 159.36 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.9 p -87.11 147.06 25.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.09 -56.01 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.23 -49.43 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -48.23 68.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.905 HD22 HG12 ' A' ' 99' ' ' VAL . 42.5 mt -54.64 -44.47 73.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -61.44 -34.98 76.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.41 -21.44 59.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.96 103.43 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.41 151.93 94.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -80.41 -22.73 40.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.78 84.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.71 -60.16 4.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.937 ' CE1' HD23 ' A' ' 91' ' ' LEU . 33.1 m-85 -48.09 -44.11 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.89 -43.63 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -60.8 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.688 HD22 ' HD2' ' A' ' 24' ' ' PHE . 90.0 mt -60.48 -30.0 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.24 41.81 7.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 37' ' ' LEU . 21.3 mt -85.25 -45.66 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 1.5 tmm_? -68.8 -25.25 64.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.61 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 30' ' ' TRP . 1.6 tp-100 -74.81 -48.3 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.627 ' CD1' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -47.37 116.38 1.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 m -48.12 173.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.75 -55.51 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.9 t -40.49 -62.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 5.4 mpt_? -62.31 -51.35 68.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 t -47.09 -38.46 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.461 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 10.9 tm0? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -69.23 -28.52 72.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.616 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER -65.5 -63.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 131' ' ' GLN . 5.4 p30 -50.03 -33.14 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -63.17 -35.82 81.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 65' ' ' VAL . 9.5 mt -73.78 -35.93 65.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -56.99 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -49.83 -30.2 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.74 -38.11 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.942 HD11 HD21 ' A' ' 95' ' ' LEU . 36.2 mt -75.05 -41.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 mm -56.08 -52.14 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.19 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.87 -56.18 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.43 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 32.5 p -56.53 -41.56 76.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -33.14 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -49.05 22.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.43 -47.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -66.22 -25.29 66.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.549 0.214 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 2' ' ' THR . 6.1 m -138.0 63.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -176.95 136.36 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -146.83 132.63 18.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -135.61 177.54 7.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.5 -59.9 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.69 138.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -154.45 153.58 28.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.621 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.622 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -69.92 80.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 16' ' ' THR . . . 176.26 -63.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -108.63 -64.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 19' ' ' THR . 16.6 m -60.34 -40.78 91.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.6 t -121.49 70.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' GLY . 2.1 m -89.21 170.66 10.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.065 ' HB2' HD21 ' A' ' 115' ' ' LEU . . . -57.1 -30.99 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.7 tp10 -74.91 -60.11 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 14' ' ' THR . 54.5 m -45.24 -42.81 9.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 97' ' ' THR . 7.6 mt -64.4 -35.91 82.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.595 ' HG3' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -64.3 -21.1 66.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.78 -36.11 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.24 -35.22 68.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE1' ' CD ' ' A' ' 36' ' ' GLN . 76.7 m-85 -86.14 -22.06 27.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.03 -54.55 3.22 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.94 -37.86 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.78 86.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.3 t -84.33 -24.78 29.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.91 118.29 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CE2' ' CB ' ' A' ' 124' ' ' GLN . 18.0 t90 -47.75 -43.31 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -41.48 -30.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 5.8 mttt -46.3 -51.32 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CE2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -62.05 -33.26 74.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.49 -60.9 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.583 ' CD ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -55.06 -31.89 61.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 37' ' ' LEU . 7.3 mt -52.87 -24.58 9.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.696 HG23 ' HB3' ' A' ' 86' ' ' ARG . 47.0 mt -75.24 -51.05 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 1.8 ptm -54.06 -28.19 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HG2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -45.24 -60.22 2.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.32 -56.66 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -49.97 -32.93 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -46.17 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.83 149.2 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.97 35.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.62 108.33 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.802 HD12 ' HD2' ' A' ' 48' ' ' PRO . 12.5 tp -66.43 134.15 94.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -74.99 153.54 41.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -31.63 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -44.82 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.19 -32.94 67.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -53.1 -36.02 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.0 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.74 -25.53 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -91.8 -169.9 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 1.1 mtmm -120.73 146.02 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -80.88 122.64 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -92.28 175.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.658 ' H ' HG22 ' A' ' 58' ' ' ILE . . . -167.54 67.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.93 29.11 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.8 m -133.89 -178.63 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -25.4 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.96 -168.15 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -59.51 153.49 19.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 83' ' ' SER . 1.4 t -147.98 164.18 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 31.5 m-90 -135.75 141.19 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.647 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.12 133.98 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -141.8 140.62 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 23.1 p90 -153.84 164.73 37.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.8 p -150.31 137.8 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.848 HG22 ' HG3' ' A' ' 77' ' ' MET . 57.7 t -91.15 145.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.79 172.97 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -10.39 32.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -32.36 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 131.45 -25.99 3.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 1.9 mttm -44.56 163.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.848 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -152.37 157.81 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.69 105.67 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.23 154.46 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 68' ' ' GLY . 8.9 p90 -161.03 119.79 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -139.47 -170.31 11.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.467 ' CG ' HD23 ' A' ' 47' ' ' LEU . 14.0 p-10 -173.63 107.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.643 ' HB2' HG13 ' A' ' 65' ' ' VAL . 29.8 t -83.35 171.23 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -82.83 -38.52 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.92 161.08 54.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.696 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -87.8 -31.66 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 0.708 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -73.95 -49.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.638 ' HA ' HD12 ' A' ' 91' ' ' LEU . 43.5 t -58.68 -52.38 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.4 mtt180 -43.6 -36.56 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.27 -49.04 28.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 88' ' ' VAL . 10.4 mt -48.69 -53.46 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 89' ' ' ARG . 1.2 mt -51.26 -46.06 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.94 -70.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.3 t -42.37 -44.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 140' ' ' ILE . 10.3 tt -60.81 -56.52 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 2.7 mt -50.31 -30.34 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 20' ' ' LEU . 2.8 m -76.07 -28.06 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -74.56 -30.3 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.105 HG12 HD21 ' A' ' 107' ' ' LEU . 5.6 m -92.27 31.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CG ' ' HA2' ' A' ' 12' ' ' GLY . 5.5 tm-20 -55.47 103.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 40.06 36.62 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.92 159.33 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.2 p -100.35 153.38 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -44.96 -54.8 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.74 -55.6 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -50.17 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.105 HD21 HG12 ' A' ' 99' ' ' VAL . 5.5 mt -52.16 -48.91 64.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.91 -34.62 73.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.02 -20.9 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -163.77 118.66 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -68.39 145.65 97.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 18.5 Cg_endo -74.98 0.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 137' ' ' SER . 12.8 mt -71.66 -21.27 61.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -59.0 -48.36 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.065 HD21 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.67 -50.7 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 91' ' ' LEU . 91.2 m-85 -58.6 -62.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.94 -31.86 42.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -50.97 69.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 21' ' ' ARG . 30.4 mt -75.52 -26.17 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.66 23.97 6.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.1 mt -86.27 -48.57 8.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -82.1 -18.36 43.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.48 67.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.585 ' CB ' ' CE2' ' A' ' 30' ' ' TRP . 2.7 mp0 -74.51 -12.74 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.825 HD22 ' HB2' ' A' ' 129' ' ' ARG . 8.6 mt -66.79 -165.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.21 164.2 25.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.55 -51.61 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.6 t -40.09 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.825 ' HB2' HD22 ' A' ' 125' ' ' LEU . 6.4 mmt180 -63.05 -40.77 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.0 t -43.8 -53.45 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER -44.91 -27.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -82.12 -50.57 4.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.38 -26.41 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.55 -50.79 19.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.9 -50.5 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.578 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.3 mt -58.52 -51.98 67.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 113' ' ' LEU . 3.1 t -54.91 -49.0 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.79 -37.08 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.01 -41.85 68.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.784 ' CG2' HD13 ' A' ' 107' ' ' LEU . 37.9 mt -72.65 -46.47 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.7 mm -50.56 -49.03 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.25 87.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -59.38 -59.77 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 140' ' ' ILE . 53.4 p -52.56 -45.96 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -45.53 -33.41 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -62.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 71' ' ' VAL . 96.0 t -51.72 -47.04 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.77 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.468 0.175 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -61.12 146.02 48.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -113.53 111.43 49.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.7 26.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -146.01 90.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -144.55 -179.28 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' PHE . . . 67.18 114.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.15 56.3 0.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -48.94 122.36 11.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.16 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE1' ' HB1' ' A' ' 93' ' ' ALA . 25.8 m-85 -71.74 80.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 -37.51 1.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m -78.67 -82.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.573 ' O ' HG21 ' A' ' 19' ' ' THR . 2.9 m -95.66 -6.27 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 58.8 t -132.15 71.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 18' ' ' GLU . 5.3 t -101.83 -169.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.967 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -58.05 -31.83 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.614 ' H ' HG23 ' A' ' 16' ' ' THR . 19.5 tt0 -70.01 -61.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 14' ' ' THR . 53.3 m -55.47 -40.92 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 97' ' ' THR . 9.1 mt -65.63 -29.34 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.694 ' CG ' HD21 ' A' ' 119' ' ' LEU . 8.3 mtm105 -74.55 -19.31 60.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.83 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -71.62 -38.05 70.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.8 m-85 -87.04 -19.18 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.97 -52.7 3.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 -40.16 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.29 82.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -28.83 59.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -73.13 129.79 38.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.68 ' O ' ' CE3' ' A' ' 30' ' ' TRP . 1.8 t-105 -71.53 -31.59 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.98 -12.44 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.06 -58.0 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -51.78 -49.25 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.676 ' HA ' HD12 ' A' ' 37' ' ' LEU . 17.0 t80 -47.81 -36.76 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -58.2 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -24.11 49.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 121' ' ' LEU . 12.6 mt -54.33 -31.91 55.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.71 -30.4 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttm -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -40.59 -50.08 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.25 -55.42 21.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -42.96 -41.85 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.32 -46.18 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 141.02 81.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.51 38.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.39 100.67 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.53 114.45 8.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.6 42.64 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -46.08 -35.4 4.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.0 tp10 -53.87 -53.15 56.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -74.88 -33.92 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 6.0 mttt -63.33 -33.79 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.99 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -83.24 -5.75 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 179.39 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -106.3 153.07 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 136.97 33.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' VAL . 19.3 mt -136.43 139.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.33 40.05 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -135.89 -47.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 1.4 mt-10 176.07 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 40.5 m-80 -155.66 -173.32 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -49.63 141.37 9.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 63' ' ' ASN . 54.1 t -143.85 118.31 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 19.9 m-90 -110.91 132.17 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -140.62 134.94 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -135.16 149.0 19.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.652 ' O ' HG23 ' A' ' 70' ' ' THR . 7.0 p90 -166.11 165.24 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -159.11 142.28 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 77' ' ' MET . 73.9 t -84.27 136.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.83 169.42 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -65.14 -11.38 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -16.03 15.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.67 -38.01 3.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -83.65 162.68 20.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 3.9 m-70 -137.68 103.91 5.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.688 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 53.9 m-85 -90.86 148.64 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 53.1 p90 -165.41 175.48 9.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 155.37 -157.08 27.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 47' ' ' LEU . 8.4 p-10 -164.86 177.83 7.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -155.13 158.14 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -83.37 -30.89 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.13 48.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -83.31 -51.17 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.2 mm -65.29 -53.6 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.1 t -50.37 -44.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -47.39 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.17 -46.09 52.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.433 ' CD2' ' CE2' ' A' ' 116' ' ' PHE . 13.1 mt -47.45 -27.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.862 ' O ' HD22 ' A' ' 96' ' ' LEU . 98.0 mt -65.21 -59.93 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.633 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -39.65 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.064 HG21 HD12 ' A' ' 121' ' ' LEU . 24.2 t -42.43 -42.7 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -60.05 -61.24 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.862 HD22 ' O ' ' A' ' 92' ' ' LEU . 1.7 mm? -53.38 -29.5 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.17 -35.25 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.3 99.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 107' ' ' LEU . 16.9 m -90.59 33.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.39 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.55 80.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -144.19 157.12 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -77.38 146.44 36.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -45.39 -43.56 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.52 -55.32 33.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.02 -44.47 30.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 99' ' ' VAL . 78.9 mt -53.94 -47.02 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.34 -17.64 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.32 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 107' ' ' LEU . 7.7 tt0 -137.78 119.63 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.7 m -65.97 127.75 93.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.18 15.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 137' ' ' SER . 15.6 mt -61.66 -22.26 65.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -54.28 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.15 -57.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 120' ' ' GLY . 95.8 m-85 -50.64 -58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.22 -40.6 71.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.11 55.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 21' ' ' ARG . 71.7 mt -76.11 -1.04 24.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.617 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . . . 50.18 33.19 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.064 HD12 HG21 ' A' ' 94' ' ' VAL . 7.6 mt -79.31 3.32 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.766 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -154.18 25.16 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.04 -16.01 38.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -15.07 59.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 122' ' ' ARG . 0.3 OUTLIER -50.99 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 m -164.71 176.07 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.02 -25.4 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -63.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.96 -22.23 36.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.92 -45.07 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -17.48 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.91 -53.79 3.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 122' ' ' ARG . 1.3 mt -57.77 -34.48 69.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -64.15 -54.35 35.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.16 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 95' ' ' LEU . 5.7 mt -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.525 ' HB2' HD21 ' A' ' 113' ' ' LEU . 30.0 t -62.72 -48.77 77.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.59 -38.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.74 82.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.912 ' O ' HG23 ' A' ' 144' ' ' THR . 26.4 mt -72.62 -37.11 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 -54.22 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.04 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.1 -58.14 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.0 p -55.77 -42.8 76.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -37.04 63.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -42.44 56.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.63 -36.47 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 148' ' ' LEU . 7.8 mt -71.85 -28.17 63.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 2.1 p-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -75.02 -85.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 44' ' ' LEU . 2.7 m-85 33.53 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.16 -55.77 1.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -51.07 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -117.87 -11.65 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 15' ' ' VAL . 54.6 t -116.44 70.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.52 154.32 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -46.9 -29.12 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' ARG . 12.9 tp10 -74.39 -57.57 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -47.1 -40.31 15.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 94' ' ' VAL . 11.8 mt -65.27 -36.37 83.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.682 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.37 -29.72 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.8 m -77.58 -41.0 40.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 121' ' ' LEU . 20.5 m-85 -86.12 -20.35 28.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.865 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.64 -55.36 3.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.865 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.8 mt -72.52 91.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 t -88.58 -20.71 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.5 125.66 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -53.44 -41.39 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -44.1 -39.56 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.91 -54.97 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -47.77 -56.01 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -60.22 -30.25 69.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.23 -61.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 -34.03 66.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.089 HD11 HD22 ' A' ' 121' ' ' LEU . 12.7 mt -52.11 -42.05 62.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -56.84 -45.83 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.4 mtt -65.4 -28.66 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD22 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -56.05 -38.84 71.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.67 -50.75 46.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.36 -45.09 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.29 -44.98 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 11' ' ' PHE . 4.4 mp -57.44 144.26 72.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.14 40.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.46 115.75 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 tp -66.38 114.58 17.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.13 27.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.36 -42.76 96.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.4 tp10 -50.34 -44.03 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -35.08 64.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -54.45 -36.6 64.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.0 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.27 -19.53 53.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 176.68 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.19 151.56 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 135.87 33.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 65' ' ' VAL . 2.9 mt -133.31 108.97 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.7 42.51 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.72 34.4 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -141.57 -175.6 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -42.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 t-20 -158.31 -175.14 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.68 147.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 63' ' ' ASN . 25.4 t -148.76 123.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -115.66 133.72 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -151.7 142.48 22.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.06 150.7 21.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.75 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 27.2 p90 -157.19 173.12 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 69' ' ' TYR . 2.8 p -154.45 139.37 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.797 HG12 ' HA2' ' A' ' 75' ' ' GLY . 1.4 t -81.27 129.65 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.05 -170.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.06 -48.01 80.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -79.61 -28.17 41.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 129.8 -17.14 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.474 ' HG3' HG13 ' A' ' 71' ' ' VAL . 9.1 mtp -79.16 150.54 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.88 111.48 14.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.54 149.01 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 46.1 p90 -165.56 123.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.47 -159.36 12.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -168.57 -175.32 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.4 t -158.47 163.37 37.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.04 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.4 110.44 3.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.83 -49.68 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 88' ' ' VAL . 5.6 tp -50.1 -57.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.56 ' N ' HG23 ' A' ' 87' ' ' ILE . 84.3 t -56.05 -46.8 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -48.51 -50.71 30.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.06 -46.24 94.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HE1' ' A' ' 116' ' ' PHE . 1.4 mt -47.24 -46.5 24.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 96' ' ' LEU . 22.3 mt -48.36 -51.77 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -40.81 -66.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.5 t -44.73 -46.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.88 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.07 -30.69 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' VAL . 96.1 m -74.94 -43.53 53.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -62.14 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.728 HG12 HD21 ' A' ' 107' ' ' LEU . 30.5 m -99.46 28.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.15 47.86 10.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 10.5 mttm -94.83 157.9 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ALA . 61.9 p -97.37 148.77 22.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -39.41 -56.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.66 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -54.01 4.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 140' ' ' ILE . 1.7 mt -47.29 -52.61 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.0 -29.17 70.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.04 -17.78 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -162.53 115.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.6 m -66.59 148.74 98.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -4.33 15.23 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 137' ' ' SER . 6.5 mt -75.75 -17.71 59.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.85 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -53.01 -56.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.627 ' HE1' HD23 ' A' ' 91' ' ' LEU . 30.1 m-85 -47.42 -48.41 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -67.55 -48.33 67.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -51.81 56.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 115' ' ' LEU . 60.5 mt -75.49 -23.06 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.49 25.67 49.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.089 HD22 HD11 ' A' ' 37' ' ' LEU . 33.1 mt -85.52 10.15 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 133' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.3 -56.87 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.55 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 2.7 mt -48.81 -59.08 3.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 140' ' ' ILE . 7.7 t -52.2 -51.31 58.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -36.09 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -49.95 -37.49 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 107' ' ' LEU . 4.4 mt -73.86 -57.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 141' ' ' ILE . 6.0 mm -42.72 -42.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.75 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -66.58 -53.62 32.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.416 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 42.3 p -50.06 -34.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -63.33 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -48.8 21.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.23 -42.63 96.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -52.15 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.182 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 3.7 p80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -74.98 -35.79 2.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 3.0 p90 -53.79 88.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 16' ' ' THR . . . 159.56 -65.1 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -88.4 -70.65 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -70.72 -35.88 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 15' ' ' VAL . 40.8 t -116.01 76.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -90.98 156.89 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -48.07 -25.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -83.73 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -44.4 -31.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 94' ' ' VAL . 6.4 mt -65.51 -51.94 56.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -67.7 -18.34 64.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.3 t30 -73.31 -30.96 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -85.04 -33.55 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.34 -24.26 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.815 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.45 -53.36 4.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 -40.85 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.49 87.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -82.12 -22.85 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 31' ' ' GLU . 2.5 mt-30 -78.86 104.81 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -43.71 -31.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -51.86 -43.69 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' ARG . 34.5 m-20 -64.79 -55.39 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -56.1 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -27.01 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -74.72 -64.46 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -31.5 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 HD22 ' A' ' 121' ' ' LEU . 13.3 mt -58.09 -36.62 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' A' ' 86' ' ' ARG . 61.9 mt -67.31 -36.49 76.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.07 -30.0 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -74.82 -44.6 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -55.71 -38.33 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.91 -45.82 91.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.91 144.63 74.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 163.98 34.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.13 116.95 15.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 ' OD2' ' A' ' 82' ' ' ASP . 26.9 tp -70.3 114.52 26.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.06 156.89 42.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.94 -44.86 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 5.0 tp10 -49.29 -46.48 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.67 -37.73 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -56.31 -37.84 70.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.34 -19.51 61.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -84.84 -13.96 49.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -101.9 -173.18 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.03 150.96 38.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -84.77 120.86 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 2.9 mm -86.75 154.16 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.63 101.02 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.96 -25.11 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.0 OUTLIER -75.08 -176.48 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 18.5 tp10 -53.72 -20.06 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.529 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.6 m-80 -170.23 -174.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 17.9 ptp180 -65.63 118.23 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.0 t -116.46 139.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.43 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 28.2 m-90 -107.4 135.22 49.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.539 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 tt -144.9 141.87 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.62 140.26 9.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 143' ' ' ALA . 7.2 p90 -145.9 161.2 40.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 69' ' ' TYR . 7.1 p -156.65 177.0 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -126.29 139.19 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . . . -95.23 -170.02 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.39 -28.94 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' OD1' ' HB3' ' A' ' 72' ' ' ALA . 15.2 p30 -94.51 -24.08 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.457 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 112.44 -19.37 22.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.6 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -71.52 154.21 41.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -137.14 104.39 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.579 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 96' ' ' LEU . 64.5 m-85 -88.23 146.76 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -164.85 125.78 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -155.93 -148.06 4.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.579 ' OD2' HD23 ' A' ' 47' ' ' LEU . 51.8 p-10 -168.8 -168.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.784 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 92' ' ' LEU . 6.5 t -164.06 158.45 19.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 1.2 pp20? -85.02 -21.19 29.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.79 118.16 5.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.717 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.82 -54.32 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.615 HG23 ' H ' ' A' ' 88' ' ' VAL . 6.2 tp -46.43 -61.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.615 ' H ' HG23 ' A' ' 87' ' ' ILE . 62.2 t -55.57 -42.82 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.8 ttt180 -52.52 -31.84 37.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.27 -47.22 7.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.711 HD13 ' HE ' ' A' ' 122' ' ' ARG . 18.9 mt -49.97 -45.83 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.6 mt -55.2 -52.37 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.03 -54.16 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.661 HG22 HD13 ' A' ' 20' ' ' LEU . 1.2 t -57.19 -39.03 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -65.36 -56.03 14.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -55.02 -28.78 54.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.5 m -69.98 -26.43 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -72.43 -35.6 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.822 HG12 HD22 ' A' ' 107' ' ' LEU . 19.6 m -99.55 31.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 1.1 tm-20 -55.59 95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.01 78.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.49 163.84 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -80.31 146.58 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.635 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.94 -56.98 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.03 -54.09 14.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -38.59 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.822 HD22 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -62.86 -41.78 99.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.502 HE21 HG23 ' A' ' 141' ' ' ILE . 62.4 mt-30 -71.59 -24.8 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.32 -26.96 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -115.21 113.36 23.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 21.8 m -65.51 115.78 25.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.422 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.98 -16.9 20.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 133' ' ' LEU . 13.3 mt -84.38 -36.12 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -41.48 -36.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.721 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -56.47 -56.44 21.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLY . 16.7 m-85 -49.61 -48.96 48.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.08 -43.48 87.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -48.2 82.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 115' ' ' LEU . 21.1 mt -74.76 -31.14 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 79.12 40.78 15.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 37' ' ' LEU . 25.5 mt -85.68 -59.04 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.711 ' HE ' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 113' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 8.6 p30 -57.92 -34.93 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -59.25 -43.49 92.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.618 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.8 mt -62.38 -44.05 97.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.3 OUTLIER -64.2 -50.27 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.9 mm-40 -41.92 -37.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.15 71.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 144' ' ' THR . 33.5 mt -75.0 -45.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 141' ' ' ILE . 3.6 mm -55.1 -44.77 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.49 79.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.23 -43.61 66.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 140' ' ' ILE . 69.5 p -64.83 -49.66 69.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -46.45 -35.17 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -56.55 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.77 -49.78 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.95 -56.4 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 17.8 p80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' HIS . 18.2 Cg_endo -75.02 -15.44 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.822 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.7 m-30 -67.19 76.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' THR . . . 164.37 -60.04 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.5 m -90.3 -76.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -61.13 -44.63 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 15' ' ' VAL . 23.5 t -109.17 79.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -88.51 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -61.44 -29.79 70.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.4 tt0 -75.6 -60.56 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -46.05 -39.0 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 HG13 ' A' ' 15' ' ' VAL . 11.3 mt -65.16 -39.63 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -61.53 -19.58 62.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -79.77 -33.24 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -85.85 -21.96 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.41 -55.08 5.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 -42.11 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 48.3 mt -68.69 87.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -87.62 -23.65 24.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.79 123.65 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.96 -40.07 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.34 -45.99 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 82.3 m-20 -65.04 -55.88 16.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -43.52 -55.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -60.23 -36.34 77.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -67.57 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -55.09 -34.18 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -53.13 -41.64 65.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 35' ' ' ARG . 7.1 mt -56.57 -40.8 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.62 -41.19 92.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -45.7 -42.05 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -69.33 -49.41 39.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -43.11 -39.99 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -57.7 -44.92 86.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.822 HD13 ' HE2' ' A' ' 11' ' ' PHE . 16.1 tp -51.94 136.48 37.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 149.83 37.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 102.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.94 112.83 4.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.42 -22.48 66.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -65.72 -52.32 52.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.33 -31.71 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HG2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -57.62 -33.57 68.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.49 -20.67 58.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -85.74 -17.41 35.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.03 179.91 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.21 150.94 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.74 134.48 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.1 mt -137.01 137.65 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.83 101.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 135' ' ' ALA . . . 169.95 40.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -134.53 -53.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER 167.72 -31.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-80 -147.22 173.9 12.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -41.9 150.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.9 t -145.22 138.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 11.2 m-90 -136.79 98.28 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -97.82 138.26 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -147.05 141.62 9.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.517 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 20.9 p90 -160.02 164.14 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -147.12 141.56 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 138.39 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.56 -177.32 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -64.86 -50.13 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -68.66 -26.26 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.29 -24.53 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.09 106.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.555 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -85.87 163.14 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -142.45 104.18 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 109.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 65.7 m-85 -85.08 155.3 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.799 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.3 p90 -166.53 163.87 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.53 ' O ' HD21 ' A' ' 92' ' ' LEU . . . 162.4 -160.15 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.931 ' OD1' HD22 ' A' ' 47' ' ' LEU . 18.5 p-10 -164.36 -173.75 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -169.73 159.88 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -38.34 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -59.58 123.28 32.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -59.23 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.724 HD13 ' CD1' ' A' ' 34' ' ' TYR . 4.4 tp -61.95 -50.23 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.2 t -52.24 -32.88 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.9 ttt-85 -63.79 -59.83 4.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.07 -36.21 91.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 116' ' ' PHE . 4.3 mt -58.25 -35.76 72.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 81' ' ' GLY . 2.9 tp -65.08 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.89 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 121' ' ' LEU . 2.6 t -41.02 -39.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.6 tt -60.63 -56.25 23.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' PHE . 7.0 mp -53.09 -29.16 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 16' ' ' THR . 96.9 m -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.12 69.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.896 HG12 HD22 ' A' ' 107' ' ' LEU . 30.2 m -94.7 31.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.3 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 49.67 76.87 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -144.74 156.81 44.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.4 p -83.26 146.42 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.848 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.31 -50.54 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.63 -67.47 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -48.07 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.896 HD22 HG12 ' A' ' 99' ' ' VAL . 43.3 mt -51.76 -44.98 63.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.07 -24.02 58.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -149.37 117.36 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.0 p -60.23 135.93 91.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -13.51 21.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 133' ' ' LEU . 17.8 mt -67.74 -32.1 72.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.89 -52.07 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -51.79 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.595 ' CE1' HG12 ' A' ' 94' ' ' VAL . 79.0 m-85 -45.22 -49.07 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.28 -37.15 84.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -43.98 92.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 53.2 mt -74.68 -22.36 58.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.49 36.36 6.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 37' ' ' LEU . 32.8 mt -85.07 -55.92 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 133' ' ' LEU . 2.4 tmm_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.12 -37.98 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 60' ' ' GLY . . . -58.04 -53.95 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 7.9 mt -62.98 -36.97 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.748 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.4 t -60.48 -57.32 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.58 -26.75 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.13 -49.66 75.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 1.011 ' O ' HG23 ' A' ' 144' ' ' THR . 76.9 mt -63.89 -44.65 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.7 mm -54.06 -59.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.93 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -69.45 -50.17 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 140' ' ' ILE . 35.7 p -59.27 -44.53 92.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.93 -36.02 26.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.03 -36.47 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 143' ' ' ALA . 48.6 t -72.05 -53.08 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -50.09 -52.39 35.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 27.2 p-80 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.38 20.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.057 ' CE2' HD13 ' A' ' 44' ' ' LEU . 3.0 m-30 -70.7 83.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.78 -54.59 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -101.34 -70.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.731 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -66.01 -49.91 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.714 HG13 HD21 ' A' ' 20' ' ' LEU . 36.1 t -98.2 102.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.569 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -114.68 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.998 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.07 -34.33 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.55 -61.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.5 m -47.59 -43.78 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD21 HG13 ' A' ' 15' ' ' VAL . 41.9 mt -64.96 -36.77 85.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -65.19 -32.37 74.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 m -83.97 -32.78 24.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 53.5 m-85 -86.58 -19.61 29.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.75 -54.42 3.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 mt -71.76 93.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -94.53 -20.46 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -88.55 131.06 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 121' ' ' LEU . 8.1 t90 -55.39 -46.07 76.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.985 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -39.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.65 -52.39 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 mttt -48.84 -56.51 8.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.725 ' CE1' HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -58.0 -28.09 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.66 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -26.82 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 121' ' ' LEU . 10.9 mt -61.87 -35.56 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.452 HD13 HD12 ' A' ' 87' ' ' ILE . 10.6 mm -63.32 -36.09 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.9 mtt -67.56 -44.04 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -43.09 -49.93 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -59.6 -60.29 9.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 13.8 mttm -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.9 -47.56 52.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.057 HD13 ' CE2' ' A' ' 11' ' ' PHE . 7.9 tp -54.21 136.89 59.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.95 157.16 43.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.44 106.42 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.636 HD13 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.78 108.67 1.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -65.55 -26.22 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.3 tp10 -62.51 -51.38 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.22 -32.21 62.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' CD1' ' A' ' 66' ' ' TRP . 2.2 mtmt -60.11 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.67 -23.68 56.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.6 mp0 -92.98 15.0 15.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.43 175.3 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 3.0 mtmm -109.21 149.12 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -81.62 128.99 34.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.91 101.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.56 38.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.14 -4.49 27.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.482 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.2 m -97.6 -178.93 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.64 ' HB2' HG21 ' A' ' 88' ' ' VAL . 3.6 mm-40 -46.34 -32.69 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.87 -165.86 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -54.02 151.64 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 61' ' ' CYS . 70.6 t -152.8 125.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 19.8 m-90 -118.47 98.6 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.6 137.66 43.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.2 142.39 11.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.471 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 7.8 p90 -150.97 174.3 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 69' ' ' TYR . 17.2 p -154.15 150.15 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 72' ' ' ALA . 47.7 t -107.44 163.33 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.455 ' N ' HG12 ' A' ' 71' ' ' VAL . . . -143.14 178.35 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.42 -52.21 48.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.43 -24.17 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -20.9 46.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.24 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.607 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -80.2 158.85 26.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -139.77 104.23 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.607 ' CZ ' ' SD ' ' A' ' 77' ' ' MET . 77.2 m-85 -84.75 151.04 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 26.8 p90 -165.59 118.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 66' ' ' TRP . . . -156.01 -160.42 9.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.636 ' OD1' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -164.2 -175.07 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -164.83 158.68 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.72 -45.54 24.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -46.44 163.89 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -88.84 -56.3 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' CE1' ' A' ' 34' ' ' TYR . 1.9 tp -70.51 -51.09 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 62' ' ' GLU . 97.2 t -46.95 -36.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -58.19 -58.28 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -60.79 -47.4 91.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.741 HD23 ' CE2' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -47.4 -45.39 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.36 -38.35 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -58.79 -65.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.555 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -39.15 -41.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -59.44 -55.76 30.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.1 mp -54.6 -29.29 51.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -72.54 -29.07 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.8 -37.13 65.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.791 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -96.49 32.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 96.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 44.26 78.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -144.6 163.48 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -85.66 146.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -43.57 -50.15 7.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.53 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -51.45 54.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.791 HD22 HG12 ' A' ' 99' ' ' VAL . 4.4 mt -49.32 -42.29 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 141' ' ' ILE . 4.8 mt-30 -72.44 -27.86 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.0 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.14 110.43 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -65.81 135.97 95.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.4 mt -75.31 -24.23 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.26 -53.5 55.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.36 -61.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 91' ' ' LEU . 95.0 m-85 -46.22 -55.92 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.24 -34.5 70.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -52.4 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 24' ' ' PHE . 77.4 mt -72.39 -28.7 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.98 42.9 7.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 94' ' ' VAL . 14.9 mt -84.67 -57.03 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 133' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.19 -44.8 79.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -51.8 -43.04 62.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.502 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 11.1 mt -68.9 -38.69 79.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 t -66.27 -59.79 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.2 pt-20 -49.7 -29.82 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.9 -44.45 86.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 1.019 ' O ' HG23 ' A' ' 144' ' ' THR . 38.5 mt -74.69 -35.02 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 108' ' ' GLN . 24.6 mm -63.64 -48.45 86.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.61 -50.86 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 140' ' ' ILE . 80.5 p -56.72 -43.8 80.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.62 -33.13 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -57.85 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 71' ' ' VAL . 66.7 t -54.74 -54.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.428 HD12 ' NE2' ' A' ' 108' ' ' GLN . 3.1 mt -46.16 -53.66 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.618 ' CE1' HD11 ' A' ' 44' ' ' LEU . 57.6 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.584 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.01 -10.42 21.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 18.2 m-30 -72.06 95.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 97' ' ' THR . . . 125.77 -31.71 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -89.85 -76.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -38.97 72.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 10' ' ' PRO . 29.3 m -110.67 119.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.61 170.01 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.977 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.92 -26.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 1.9 tt0 -76.88 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -57.18 -36.38 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.912 ' CD1' HG21 ' A' ' 97' ' ' THR . 0.5 OUTLIER -61.05 -56.94 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 10.7 ptp180 -62.14 -17.83 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -32.41 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -85.21 -34.63 21.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m-85 -84.8 -27.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.62 -54.95 2.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.98 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt -64.33 86.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -81.52 -25.05 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' ASP . 4.6 mt-30 -75.57 110.22 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -46.17 -31.87 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.1 70.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLN . 33.7 m-20 -66.17 -57.16 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 6.6 mttt -44.89 -60.04 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.738 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -57.28 -21.86 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.63 -67.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -29.59 56.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 121' ' ' LEU . 9.6 mt -51.26 -51.42 54.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.3 mp -49.41 -39.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -26.73 60.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -24.47 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 -45.77 6.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -47.27 -46.93 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.03 -47.78 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD11 ' CE1' ' A' ' 9' ' ' HIS . 20.5 tp -54.28 138.5 57.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.99 156.09 42.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.25 100.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -64.85 114.01 13.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.02 146.02 32.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.33 -33.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.2 tp10 -54.99 -46.31 75.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -72.93 -42.1 63.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -53.29 -36.68 61.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.42 -22.81 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.25 -19.19 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.755 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.49 -178.15 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -99.83 144.36 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 7.2 tp10 -82.59 126.09 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' VAL . 5.0 mt -124.02 137.95 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 41.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.76 44.95 1.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -150.47 -178.12 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -38.93 -39.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 65' ' ' VAL . 19.0 m-20 -157.46 179.72 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.14 147.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.1 t -144.6 148.96 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.548 ' CE2' ' OE1' ' A' ' 57' ' ' GLU . 9.2 m-90 -143.22 136.3 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.755 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -148.96 138.02 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.17 138.19 7.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.835 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 41.1 p90 -153.54 171.71 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 69' ' ' TYR . 3.1 p -158.09 140.39 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.699 HG22 ' CG ' ' A' ' 77' ' ' MET . 4.7 t -90.16 127.29 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.22 -170.25 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.82 -49.99 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -66.37 -30.95 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 119.78 -26.55 7.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 104.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.699 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.6 mtp -83.3 154.66 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -134.58 109.43 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.613 ' CD1' HG21 ' A' ' 99' ' ' VAL . 51.2 m-85 -92.99 148.59 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.68 112.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -143.62 -153.37 5.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 5.1 p-10 -166.14 -176.6 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -171.32 163.54 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.05 -41.93 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.26 112.67 5.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -41.51 26.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -67.54 -39.76 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.1 t -67.06 -54.5 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.1 ttt180 -47.17 -42.54 19.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.57 -45.53 45.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 116' ' ' PHE . 6.8 mt -50.19 -49.72 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.4 mt -46.67 -47.17 20.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -41.93 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 121' ' ' LEU . 2.5 t -45.84 -48.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 95' ' ' LEU . 9.3 tt -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 99' ' ' VAL . 2.4 mp -52.4 -28.71 20.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.912 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.0 m -75.75 -38.01 58.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -66.68 -31.21 71.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 107' ' ' LEU . 5.3 m -94.41 33.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.27 45.84 21.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -94.39 168.46 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 154.03 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -46.42 -52.31 13.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.9 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.6 -46.35 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.002 HD21 HG12 ' A' ' 99' ' ' VAL . 8.9 mt -53.8 -53.17 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.476 ' OE1' HD12 ' A' ' 148' ' ' LEU . 46.5 mt-30 -62.98 -26.89 69.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.28 45.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -151.49 111.64 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.5 m -71.88 150.38 92.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.74 12.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.37 -25.66 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -61.29 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.977 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -40.89 -58.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.64 ' CE2' HG12 ' A' ' 94' ' ' VAL . 88.8 m-85 -48.91 -58.24 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.29 -41.9 76.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.16 81.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 73.5 mt -75.41 -13.95 60.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.31 16.24 64.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 94' ' ' VAL . 52.9 mt -82.88 -2.37 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.64 -58.57 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.22 -56.31 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 65' ' ' VAL . 2.5 mt -47.38 -53.9 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.0 t -59.13 -51.46 69.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.48 -36.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.42 -41.37 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 137' ' ' SER . 15.2 mt -75.44 -38.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.8 mm -55.04 -50.54 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.01 82.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.835 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.12 -60.13 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 104' ' ' ALA . 20.1 p -51.34 -43.55 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -49.35 -36.63 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -45.3 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.92 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.476 HD12 ' OE1' ' A' ' 108' ' ' GLN . 3.1 mt -42.5 -49.72 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 5.7 p80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 6.6 p90 -54.8 120.9 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 16' ' ' THR . . . 122.59 -49.43 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -108.08 -76.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 -30.26 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 15' ' ' VAL . 5.8 t -122.66 72.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -89.66 155.58 19.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.736 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -45.89 -31.44 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' ASN . 1.1 tt0 -72.46 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.0 m -43.14 -39.08 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 40' ' ' LEU . 5.9 mt -65.43 -49.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.528 ' CB ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -70.34 -19.15 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 t-20 -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -84.05 -33.17 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 121' ' ' LEU . 18.9 m-85 -86.05 -21.22 27.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.97 -55.22 3.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 31.8 mt -62.33 91.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 m -89.9 -20.91 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.73 123.03 29.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.71 -36.6 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -34.43 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 78.7 m-20 -76.75 -55.76 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 3.8 mtmt -50.01 -62.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.435 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.86 -33.67 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -61.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -18.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.832 HD21 HD13 ' A' ' 121' ' ' LEU . 10.8 mt -63.2 -49.23 75.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 mt -52.95 -32.38 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.94 -39.08 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -46.64 -28.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.13 -39.15 9.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -53.05 -41.73 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.8 -50.94 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' LEU . 5.6 tp -53.97 140.0 52.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.0 159.21 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 115.25 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 51' ' ' LEU . 11.6 tp -74.51 114.05 30.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.6 t0 -63.17 -52.56 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -43.72 -40.91 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -73.93 -38.72 64.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 3.5 mtmp? -54.36 -35.45 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.74 -20.55 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 5.49 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -134.19 -178.79 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 9.1 mtmm -104.69 136.79 43.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 57' ' ' GLU . 3.8 tp10 -79.54 125.6 29.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 2.8 mt -117.29 136.98 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.41 106.44 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.77 -35.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLU . 1.1 m -74.34 -169.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' CYS . 2.3 mm-40 -37.23 -48.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 m120 -150.81 166.75 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -44.18 151.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 83' ' ' SER . 9.5 t -145.09 165.59 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 52' ' ' LYS . 27.5 m-90 -141.44 141.95 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 107.961 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.496 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -148.7 132.43 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -141.31 141.62 11.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 70' ' ' THR . 27.6 p90 -155.14 172.59 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 69' ' ' TYR . 8.9 p -158.54 139.24 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.41 133.03 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 76' ' ' LYS . . . -78.13 -178.24 5.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.11 -34.45 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -91.6 -26.44 18.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.77 -28.67 3.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -44.98 102.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -83.49 163.05 20.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 1.7 m-70 -139.72 104.72 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 99' ' ' VAL . 75.5 m-85 -85.12 153.72 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 29.3 p90 -164.95 119.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.51 175.32 31.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' GLY . 1.9 m-20 -167.45 122.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -85.96 171.44 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -30.76 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.26 171.93 52.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -54.76 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 91' ' ' LEU . 4.9 mm -53.3 -58.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.88 -34.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -57.01 -58.03 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -63.01 -42.71 99.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 116' ' ' PHE . 5.1 mt -47.33 -41.35 19.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.51 -48.0 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.783 ' HB3' HD12 ' A' ' 40' ' ' LEU . . . -39.5 -59.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 121' ' ' LEU . 2.7 t -48.55 -43.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -63.49 -56.53 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.569 ' CD1' HD21 ' A' ' 92' ' ' LEU . 19.0 mt -49.36 -32.56 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 21.4 m -75.36 -28.9 59.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -70.75 -23.94 62.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 107' ' ' LEU . 16.6 m -103.61 29.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -55.14 102.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.55 42.51 0.67 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.17 161.14 14.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.2 p -96.88 147.81 23.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -40.03 -56.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.39 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -45.61 -51.79 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 99' ' ' VAL . 40.3 mt -48.2 -56.7 7.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.67 -21.18 62.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -80.41 -26.81 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.62 114.83 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 90.4 p -65.03 136.94 96.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.02 -11.34 21.43 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 137' ' ' SER . 5.3 mt -76.39 -19.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -57.16 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.736 HD21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.87 -59.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 120' ' ' GLY . 86.6 m-85 -45.42 -55.0 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.16 -49.03 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -48.21 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.734 HD11 HD23 ' A' ' 115' ' ' LEU . 16.7 mt -75.15 -28.52 60.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 83.86 29.35 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.915 HD11 ' CE2' ' A' ' 24' ' ' PHE . 80.0 mt -84.79 -13.54 50.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.456 HD22 HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -64.93 -34.77 79.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 19.5 mt -76.48 -45.18 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.72 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.9 t -65.44 -51.59 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -52.22 -30.84 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.19 -39.09 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.83 ' CG2' HD13 ' A' ' 107' ' ' LEU . 14.4 mt -75.23 -40.19 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.36 -53.28 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.48 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.564 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -58.35 -59.3 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 140' ' ' ILE . 44.1 p -55.62 -46.7 77.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.9 -33.95 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.51 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.73 -52.63 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.4 mt -47.66 -58.03 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 7.1 p80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 8.0 p90 -54.87 121.2 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.36 -42.28 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.6 m -75.43 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -115.36 -33.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 40' ' ' LEU . 54.1 t -99.37 71.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -80.15 158.53 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.813 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -51.72 -26.06 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.5 tp10 -80.06 -59.2 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 m -45.8 -35.08 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.89 -39.64 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -68.72 -25.37 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -70.53 -33.04 70.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -80.46 -33.88 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.797 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.0 m-85 -85.17 -27.56 26.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.4 -54.83 4.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 50.5 mt -70.04 99.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' PRO . 42.8 p -97.86 -18.23 18.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.68 120.88 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.494 ' CZ2' ' CE1' ' A' ' 34' ' ' TYR . 7.6 t90 -45.4 -50.06 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -38.16 -37.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 67.6 m-20 -70.87 -57.07 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.52 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE1' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -56.06 -30.05 61.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.71 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.916 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -56.49 -36.86 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.908 HD11 HD22 ' A' ' 121' ' ' LEU . 23.8 mt -49.53 -35.97 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 86' ' ' ARG . 31.4 mt -66.58 -41.87 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttp -61.16 -41.52 96.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -42.97 -48.45 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.55 -47.8 89.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -51.4 -41.87 61.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.48 -41.08 84.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HD21 ' A' ' 92' ' ' LEU . 8.1 mp -58.65 142.44 83.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.45 35.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.43 97.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.955 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.09 119.27 47.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.76 36.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.13 -27.11 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 tp10 -62.51 -45.27 93.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -28.55 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -60.03 -35.45 75.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -14.24 60.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -87.17 -20.51 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.847 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -103.99 -170.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -108.89 152.14 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 133.88 34.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.9 mt -134.91 147.46 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.58 68.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -142.63 12.84 2.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.61 -50.64 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.08 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 65' ' ' VAL . 9.1 m-20 -147.43 -177.21 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -45.27 136.83 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 63' ' ' ASN . 68.8 t -138.16 123.26 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 13.3 m-90 -115.53 134.22 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.847 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -149.22 133.28 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.49 139.64 10.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -148.27 164.1 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' MET . 40.3 p -146.4 157.71 43.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 77' ' ' MET . 13.6 t -116.18 162.6 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.61 -177.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.67 -53.31 40.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -65.97 -18.26 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 86.3 -16.36 44.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -50.07 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -75.32 159.78 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.88 104.59 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 96' ' ' LEU . 80.5 m-85 -84.22 145.86 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -165.18 125.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -162.62 -155.5 8.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.955 ' OD1' HD22 ' A' ' 47' ' ' LEU . 5.9 p-10 -166.05 -175.81 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.79 160.84 20.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -44.89 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.68 124.71 33.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.545 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.1 mtm180 -53.91 -59.2 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.485 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.01 -42.86 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.38 -47.32 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.671 ' O ' HD23 ' A' ' 92' ' ' LEU . 8.4 ttm180 -57.04 -60.1 4.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -48.69 -41.11 26.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.116 HD22 HD11 ' A' ' 133' ' ' LEU . 1.8 mt -56.58 -52.27 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.9 -42.41 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -50.16 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 121' ' ' LEU . 4.5 t -39.34 -48.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 140' ' ' ILE . 9.5 tt -52.3 -51.78 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -61.19 -27.87 68.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 53.9 m -75.06 -27.22 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -34.42 61.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.975 HG12 HD22 ' A' ' 107' ' ' LEU . 27.4 m -101.86 32.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 94.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.47 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -144.41 168.08 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.1 p -88.18 147.54 24.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.725 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -45.73 -55.43 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.98 -54.76 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -51.86 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.975 HD22 HG12 ' A' ' 99' ' ' VAL . 21.6 mt -49.75 -49.51 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.18 -30.0 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.22 -18.08 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -144.8 104.39 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -64.58 145.03 98.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -22.93 14.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.2 mt -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -46.28 -52.25 12.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.24 -59.87 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.627 ' CE1' HD23 ' A' ' 91' ' ' LEU . 78.9 m-85 -47.47 -49.98 24.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -63.72 -43.98 94.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.52 84.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.797 HD22 ' HD2' ' A' ' 24' ' ' PHE . 88.2 mt -74.99 -27.85 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.93 31.07 7.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 37' ' ' LEU . 15.0 mt -86.25 -53.99 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 1.116 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -38.21 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -63.82 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.524 HD21 HG11 ' A' ' 65' ' ' VAL . 54.5 mt -40.57 -37.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.804 ' HB2' HD21 ' A' ' 113' ' ' LEU . 42.4 t -65.79 -69.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 5.7 pt-20 -45.03 -30.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.987 ' CD1' HD21 ' A' ' 95' ' ' LEU . 23.3 mt -75.23 -36.17 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.33 -47.5 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.23 97.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 147' ' ' VAL . . . -61.41 -49.57 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.725 HG22 ' CB ' ' A' ' 104' ' ' ALA . 4.2 p -59.07 -53.77 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -32.34 45.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -37.85 74.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 143' ' ' ALA . 92.8 t -75.07 -50.37 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.8 -52.94 28.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 60.4 m170 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.05 -37.36 2.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.707 ' CE2' HD13 ' A' ' 96' ' ' LEU . 8.0 p90 -54.4 112.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.53 -38.49 1.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 14' ' ' THR . 1.2 m -120.9 -79.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.349 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 13' ' ' THR . 2.9 m -63.06 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 10' ' ' PRO . 50.9 t -123.3 117.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -147.52 176.58 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.442 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 2.2 tt0 -84.52 -56.35 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -60.91 -37.47 82.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD13 HG22 ' A' ' 94' ' ' VAL . 21.0 mt -66.71 -57.52 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 13.0 ptt180 -63.43 -18.8 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.57 -32.35 71.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HD12 ' A' ' 27' ' ' LEU . 12.6 m -84.43 -32.46 24.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 23.1 m-85 -84.12 -30.79 25.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.47 -55.58 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 23' ' ' THR . 16.7 mt -62.6 91.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -81.74 -23.46 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.89 123.16 27.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -55.12 -36.42 65.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -37.71 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CG ' HD22 ' A' ' 27' ' ' LEU . 72.6 m-20 -71.17 -56.93 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -50.29 -49.07 54.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -58.64 3.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' MET . 48.5 tp60 -59.08 -41.89 89.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -42.87 -41.04 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.618 HG23 ' HB3' ' A' ' 86' ' ' ARG . 11.8 mt -59.59 -46.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -57.13 -37.86 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -49.0 -29.99 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.78 -33.17 31.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.43 -53.24 57.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -47.55 -46.87 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 17.2 tp -54.78 137.38 64.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 151.34 39.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.31 99.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.5 119.86 39.82 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -65.19 -48.35 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 10.0 pt-20 -45.6 -43.22 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -73.76 -37.67 64.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.22 -33.27 40.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.22 57.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.28 -19.96 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.68 -165.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -117.12 152.02 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.3 131.45 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.3 mt -129.09 148.43 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB2' HH21 ' A' ' 64' ' ' ARG . . . -146.49 174.96 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.39 -17.39 55.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 m -90.84 -176.47 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -40.24 -52.75 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m120 -150.05 -177.09 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.22 145.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.9 t -141.51 125.73 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 64' ' ' ARG . 19.7 m-90 -116.77 134.14 55.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -147.7 138.32 23.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.75 156.53 26.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' THR . 27.8 p90 -167.34 169.24 12.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' TYR . 13.1 p -155.82 157.02 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.795 HG13 ' O ' ' A' ' 75' ' ' GLY . 2.9 t -105.86 144.82 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.04 177.29 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -19.21 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.83 -32.89 15.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.795 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 128.15 -26.67 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.0 mttt -44.55 157.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 71' ' ' VAL . 75.2 mtp -148.85 140.99 23.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.49 103.83 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.633 ' O ' HD22 ' A' ' 96' ' ' LEU . 65.1 m-85 -76.25 149.47 37.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 68' ' ' GLY . 44.9 p90 -159.16 169.41 24.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 157.68 -149.04 19.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.893 ' OD1' HD22 ' A' ' 47' ' ' LEU . 6.2 p-10 -172.09 -175.72 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -163.07 157.85 21.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.08 -35.22 32.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.17 156.48 50.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -81.04 -58.79 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -59.92 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 91' ' ' LEU . 82.2 t -60.66 -64.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -41.41 -32.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.83 -51.01 6.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 88' ' ' VAL . 19.6 mt -46.85 -30.13 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.79 -50.54 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -46.29 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.683 HG12 ' CE2' ' A' ' 116' ' ' PHE . 6.8 t -44.45 -46.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 140' ' ' ILE . 8.1 tt -58.03 -49.35 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.707 HD13 ' CE2' ' A' ' 11' ' ' PHE . 45.6 mt -64.38 -28.33 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -75.63 -28.84 58.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -75.19 -17.43 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.98 HG12 ' CD2' ' A' ' 107' ' ' LEU . 32.8 m -114.05 31.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.64 94.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.82 77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -144.67 157.92 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 p -84.72 160.51 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -54.7 -44.31 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.62 -54.33 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -35.7 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.98 ' CD2' HG12 ' A' ' 99' ' ' VAL . 12.0 mt -64.09 -52.78 57.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.94 -22.46 62.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.19 -19.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 107' ' ' LEU . 22.2 tt0 -142.82 108.89 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -62.62 130.44 93.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.97 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 137' ' ' SER . 10.8 mt -64.91 -20.95 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASP . . . -52.44 -61.07 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.94 -59.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.683 ' CE2' HG12 ' A' ' 94' ' ' VAL . 86.7 m-85 -47.94 -37.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -73.69 -49.45 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -57.13 -42.84 81.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 21' ' ' ARG . 15.1 mt -74.25 -31.46 62.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.11 39.98 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 94' ' ' VAL . 18.8 mt -85.37 -50.75 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.47 ' HG3' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.47 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.49 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.2 m-20 -57.32 -61.05 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.73 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -52.93 -56.79 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.787 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.4 t -65.08 -47.76 76.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 2.0 mm-40 -47.73 -35.3 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.22 -44.19 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.944 ' O ' HG23 ' A' ' 144' ' ' THR . 15.1 mt -74.71 -40.29 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.9 mm -54.42 -47.72 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.25 86.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.02 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 140' ' ' ILE . 47.4 p -54.43 -44.32 72.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -47.39 -33.64 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -49.97 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.71 -40.3 86.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.09 -27.74 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.0 m170 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.28 11.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 18.9 p90 -69.21 125.53 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -32.55 4.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 m -81.92 -80.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.4 m -103.78 -5.38 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -133.54 70.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.662 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.1 t -100.29 -167.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.99 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -65.79 -44.25 86.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.7 tt0 -63.31 -61.51 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -53.45 -36.24 61.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 16' ' ' THR . 13.6 mt -63.89 -57.71 8.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.882 ' HB3' HD21 ' A' ' 119' ' ' LEU . 5.2 ptm180 -64.87 -25.17 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 20.1 m -77.66 -25.01 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 27' ' ' LEU . 13.6 m-85 -86.6 -24.61 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.2 -51.86 5.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.92 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' A' ' 24' ' ' PHE . 90.8 mt -45.98 94.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.7 m -85.5 -23.66 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.412 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -84.96 110.89 19.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ASP . 6.0 t90 -45.18 -46.4 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 107.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -42.12 -27.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' TRP . 42.6 m-20 -64.99 -57.59 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -46.57 -52.18 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -29.8 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -61.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 39' ' ' MET . 25.0 tt0 -54.32 -35.87 63.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.948 HD11 HD22 ' A' ' 121' ' ' LEU . 16.2 mt -55.39 -31.12 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.45 -62.46 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.1 ptt? -46.21 -30.78 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -42.14 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.93 93.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -48.32 -51.8 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -56.01 -50.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' HD2' ' A' ' 45' ' ' PRO . 20.7 tp -54.28 138.62 57.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 148.65 35.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 104.12 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.66 114.78 9.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.6 42.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.05 -25.92 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.6 mm-40 -64.69 -45.92 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.04 -39.12 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 11.2 mtmt -53.78 -33.02 54.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.47 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -83.11 -16.88 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.98 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mtmm -115.84 150.89 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.25 133.41 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.16 113.99 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.4 60.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.26 35.9 1.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.53 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -140.53 -179.06 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -41.59 -37.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.615 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.92 -174.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -41.95 148.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.749 HG11 HD21 ' A' ' 136' ' ' LEU . 77.2 t -144.36 144.42 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.9 m-90 -135.84 136.45 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -154.13 137.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.26 141.2 10.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 78' ' ' HIS . 15.4 p90 -146.49 157.88 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' MET . 6.6 p -140.87 142.39 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG22 ' CG ' ' A' ' 77' ' ' MET . 3.2 t -105.65 162.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.67 -179.18 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.82 -53.07 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.82 -22.63 66.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 92.1 -17.63 56.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.511 ' CG ' HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -77.73 157.95 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 37.1 m170 -137.73 104.34 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' HB ' ' A' ' 99' ' ' VAL . 76.9 m-85 -84.51 147.32 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 34.7 p90 -165.21 117.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.764 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -153.43 -149.49 5.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.919 ' OD1' HD22 ' A' ' 47' ' ' LEU . 3.9 p-10 -174.98 -176.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -167.16 168.67 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -47.38 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.45 136.65 21.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -59.16 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.2 tp -61.19 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 75.6 t -52.41 -41.98 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -50.9 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.99 10.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' CE2' ' A' ' 116' ' ' PHE . 9.5 mt -46.73 -33.88 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 -54.35 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . -49.13 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 121' ' ' LEU . 1.1 t -40.77 -42.35 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 140' ' ' ILE . 6.6 tt -59.24 -61.38 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -46.7 -29.97 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -74.79 -38.21 62.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -66.88 -16.22 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.054 HG12 HD21 ' A' ' 107' ' ' LEU . 16.2 m -112.12 31.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 37.3 tt0 -55.53 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 37.26 45.89 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 160.55 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.5 p -96.97 146.63 24.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.16 -57.59 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.85 -61.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -45.83 -50.14 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.054 HD21 HG12 ' A' ' 99' ' ' VAL . 29.9 mt -51.4 -55.25 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -60.5 -24.68 65.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.32 -28.9 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -136.35 113.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.1 p -68.17 144.39 96.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.98 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 133' ' ' LEU . 15.2 mt -61.14 -22.07 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.57 74.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.99 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -52.55 -52.6 54.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLY . 74.4 m-85 -50.8 -52.98 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.4 -34.6 75.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.83 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 21' ' ' ARG . 79.2 mt -75.56 -21.93 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.86 43.22 6.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.948 HD22 HD11 ' A' ' 37' ' ' LEU . 13.8 mt -85.55 -37.11 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 9.4 p30 -60.98 -31.78 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -65.55 -37.92 88.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.749 HD21 HG11 ' A' ' 65' ' ' VAL . 6.8 mt -75.73 -37.57 59.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -65.11 -54.37 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 139' ' ' ALA . 8.1 pt-20 -48.97 -32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.4 -41.67 69.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 95' ' ' LEU . 27.5 mt -74.97 -43.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.5 mm -51.46 -50.32 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.85 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.734 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 38.6 p -58.06 -42.7 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -35.91 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -38.98 61.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.79 -55.22 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -48.3 -50.81 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -23.2 13.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 3.0 m-30 -73.94 82.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 16' ' ' THR . . . 158.49 -47.75 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.04 -68.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -79.37 -42.47 25.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 15' ' ' VAL . 19.5 t -104.05 73.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -82.46 173.19 12.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.886 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.2 -33.94 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.1 tp10 -73.61 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -44.88 -38.48 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 97' ' ' THR . 5.6 mt -64.31 -42.54 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -62.46 -18.86 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -37.07 65.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.9 m -76.57 -35.3 58.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 14.3 m-85 -86.35 -23.89 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.95 -52.88 5.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.34 89.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' PRO . 6.2 t -86.83 1.63 51.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -105.95 144.5 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -81.47 -40.99 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.6 pt-20 -52.59 -43.24 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -64.74 -48.74 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 16.8 mtmt -54.02 -56.35 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.7 -26.62 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -60.64 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.02 -32.18 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.609 HD23 ' CD1' ' A' ' 40' ' ' LEU . 9.2 mt -49.86 -39.56 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 86' ' ' ARG . 12.5 mt -60.37 -39.94 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 mtt -70.4 -29.03 65.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.609 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.11 -39.25 55.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.17 -42.52 83.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -50.39 -38.18 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.01 HD21 ' OD2' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 154.96 43.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.12 116.48 15.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.798 HD12 ' HD2' ' A' ' 48' ' ' PRO . 31.4 tp -69.95 117.47 54.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.798 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.98 163.05 36.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.78 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.0 tp10 -44.07 -44.17 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -37.82 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -54.89 -39.17 68.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.18 -21.58 62.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.1 mp0 -83.76 -12.27 55.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.12 -176.21 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.5 154.91 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -84.82 126.96 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.007 ' HB ' HG13 ' A' ' 65' ' ' VAL . 1.3 mm -107.35 162.75 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 58' ' ' ILE . . . -156.66 173.58 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.39 -10.79 62.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HG11 ' A' ' 65' ' ' VAL . 73.7 m -78.45 169.15 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.44 -12.13 49.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -163.37 -179.55 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HB2' ' CH2' ' A' ' 66' ' ' TRP . 4.8 ptt180 -60.73 140.44 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.007 HG13 ' HB ' ' A' ' 58' ' ' ILE . 4.0 p -152.64 165.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.506 ' N ' HG22 ' A' ' 65' ' ' VAL . 18.1 m-90 -142.88 171.11 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.39 126.67 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -127.7 138.93 10.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 70' ' ' THR . 18.7 p90 -144.37 166.7 24.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -158.97 178.01 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.574 HG13 ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -130.69 135.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.51 -164.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -82.27 -30.84 30.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.507 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 111.41 -16.29 26.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 101' ' ' GLY . 1.3 mtmt -44.93 101.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG13 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -71.28 154.65 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -143.26 104.04 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 77.8 m-85 -84.33 154.68 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.669 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.0 p90 -165.42 119.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 82' ' ' ASP . . . -149.95 -170.4 17.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 1.01 ' OD2' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -164.91 160.1 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 18.9 t -150.73 171.88 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -56.75 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.58 141.85 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -73.31 -56.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 mm -62.17 -39.18 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.49 -37.08 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HG2' HD22 ' A' ' 44' ' ' LEU . 3.4 ttt180 -55.23 -53.13 59.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -68.24 -42.81 82.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 87' ' ' ILE . 8.4 mt -47.55 -42.91 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.34 -41.71 93.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -50.12 -49.38 51.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 121' ' ' LEU . 2.4 t -60.92 -34.96 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.91 -57.83 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.68 HD13 ' HG ' ' A' ' 92' ' ' LEU . 5.0 mp -49.07 -26.13 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 18.5 m -75.21 -48.84 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.88 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.963 HG12 HD21 ' A' ' 107' ' ' LEU . 20.2 m -103.26 33.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 100' ' ' GLU . 2.3 tm-20 -55.25 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.49 45.71 2.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.95 162.53 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -91.32 157.42 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -50.15 -46.92 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -47.09 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.029 HD22 HG21 ' A' ' 140' ' ' ILE . 4.0 mt -51.72 -46.31 63.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 141' ' ' ILE . 19.1 mt-30 -75.06 -21.98 58.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.29 61.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -151.18 131.22 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -72.78 145.44 86.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.0 Cg_endo -75.06 -0.82 10.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 mt -79.59 -19.36 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.89 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -41.22 -61.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.422 ' CE1' HG12 ' A' ' 94' ' ' VAL . 91.7 m-85 -45.51 -54.85 6.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -59.76 -41.58 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -61.24 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.54 -20.66 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.37 30.95 53.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 94' ' ' VAL . 99.7 mt -84.61 -21.06 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 1.1 m-80 -47.85 -54.63 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.35 -56.61 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.0 mt -43.28 -55.72 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 t -63.07 -49.29 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.7 mm-40 -45.83 -35.97 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.05 -35.6 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 1.029 HG21 HD22 ' A' ' 107' ' ' LEU . 37.0 mt -74.08 -42.07 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' A' ' 108' ' ' GLN . 43.3 mm -56.35 -54.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.09 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.52 -47.84 52.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.961 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.7 p -62.54 -45.53 92.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -48.81 -35.36 14.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.12 81.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.14 -43.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -36.9 77.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 15.9 p80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.01 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -68.38 59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 150.98 44.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.19 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.425 ' N ' HG22 ' A' ' 13' ' ' THR . 1.9 m -117.21 -34.72 4.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.722 HG13 HD21 ' A' ' 20' ' ' LEU . 67.9 t -92.12 107.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -127.36 155.55 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.452 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.58 -31.55 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.58 -60.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -49.26 -43.63 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.722 HD21 HG13 ' A' ' 15' ' ' VAL . 15.2 mt -63.82 -37.54 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.33 -32.38 56.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.39 -42.36 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -26.47 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CD1' HD12 ' A' ' 27' ' ' LEU . 10.1 m-85 -86.72 -18.6 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.79 -54.41 3.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 -28.18 9.36 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 24' ' ' PHE . 43.0 mt -62.93 -129.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 88.59 4.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.435 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' TRP . 30.0 mt-30 -109.58 112.71 24.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' GLN . 1.3 t90 -37.65 -52.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -51.79 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -70.7 -55.38 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -43.66 -55.97 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 1.7 t80 -58.85 -30.93 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.561 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.19 -32.19 54.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.928 HD21 HD13 ' A' ' 121' ' ' LEU . 8.4 mt -49.19 -36.1 18.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.442 HG23 ' CB ' ' A' ' 86' ' ' ARG . 11.5 mt -68.42 -38.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.7 mmt -62.44 -36.76 83.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -52.4 -28.38 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.27 -54.18 5.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -44.33 -51.72 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.59 -43.39 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 11' ' ' PHE . 1.3 tp -51.53 138.61 29.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.85 39.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.09 116.77 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HD2' ' A' ' 48' ' ' PRO . 26.9 tp -68.82 117.79 54.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -75.01 165.6 30.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -64.87 -55.83 17.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.59 -41.18 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HG3' ' A' ' 50' ' ' GLU . 1.1 mm? -73.98 -39.24 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 28.1 mttt -52.54 -37.64 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.51 61.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -81.22 -13.63 58.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.08 -174.88 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -113.89 147.65 38.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.43 85.05 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.9 mt -66.93 135.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.36 83.81 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 169.97 48.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 56.5 m -134.72 -49.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER 166.4 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.4 m120 -151.11 -175.84 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -50.43 128.21 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 63' ' ' ASN . 61.6 t -129.65 152.98 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 9.7 m-90 -142.88 121.8 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -137.15 137.07 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -142.05 141.19 10.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 70' ' ' THR . 10.5 p90 -155.76 168.1 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 0.799 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 69' ' ' TYR . 4.8 p -156.95 144.41 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 77' ' ' MET . 98.0 t -98.23 132.37 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.26 169.4 10.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -39.65 60.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -69.56 -31.83 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.42 -32.13 5.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 108.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -82.99 164.23 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 104.49 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.417 ' O ' HD23 ' A' ' 96' ' ' LEU . 92.0 m-85 -89.31 148.7 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 55.4 p90 -165.31 121.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -159.25 -162.32 11.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.6 -174.59 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.82 164.31 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -47.41 17.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -69.29 113.28 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' CB ' HG23 ' A' ' 38' ' ' ILE . 4.9 mtt85 -46.0 -55.91 6.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 88' ' ' VAL . 6.3 tp -47.48 -56.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.558 ' N ' HG23 ' A' ' 87' ' ' ILE . 58.5 t -63.05 -24.79 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.8 ttt180 -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.05 -44.87 97.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 116' ' ' PHE . 2.5 mt -50.29 -52.39 36.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.819 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.99 -43.44 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.15 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.737 HG13 ' CD2' ' A' ' 115' ' ' LEU . 2.6 t -42.65 -52.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tt -48.88 -62.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.819 HD13 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mp -52.74 -30.48 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.44 -27.7 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . -74.32 -21.75 59.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.798 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -113.25 24.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -54.96 121.58 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 34.43 72.4 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -144.42 162.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.3 p -92.96 148.74 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.787 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -41.72 -51.12 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.04 -53.77 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -49.71 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.798 HD22 HG12 ' A' ' 99' ' ' VAL . 5.3 mt -50.73 -46.79 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.682 ' NE2' HD12 ' A' ' 148' ' ' LEU . 24.2 mt-30 -69.48 -26.72 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.76 -17.83 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 103.94 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.23 134.55 75.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.2 20.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.8 mt -72.41 -19.92 61.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.27 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.91 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.65 -59.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.684 ' CE1' HD23 ' A' ' 91' ' ' LEU . 91.8 m-85 -48.2 -56.84 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -56.54 -32.59 65.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -53.72 37.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 24' ' ' PHE . 63.8 mt -75.66 -13.46 60.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.58 22.93 48.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.928 HD13 HD21 ' A' ' 37' ' ' LEU . 16.2 mt -85.14 -11.38 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 116' ' ' PHE . 5.5 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.638 HD21 HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.59 -57.41 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.37 3.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.4 mt -41.26 -56.11 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.663 ' HB2' HD21 ' A' ' 113' ' ' LEU . 40.8 t -62.1 -51.56 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.07 -35.35 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.99 -57.83 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 144' ' ' THR . 34.1 mt -62.45 -36.75 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.7 mm -55.52 -53.41 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.91 77.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.413 ' HB1' ' OH ' ' A' ' 69' ' ' TYR . . . -62.2 -55.59 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.787 HG22 ' CB ' ' A' ' 104' ' ' ALA . 13.5 p -53.87 -44.18 70.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -32.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -45.34 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.35 -49.5 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.682 HD12 ' NE2' ' A' ' 108' ' ' GLN . 3.7 mt -50.18 -54.86 17.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.0 -21.51 15.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 2.3 m-30 -64.36 74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 168.05 -57.91 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.8 -80.18 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -58.98 -40.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 16.8 t -103.51 131.38 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.78 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -146.39 164.14 33.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.419 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -52.35 -39.18 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 35.4 tt0 -72.72 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -48.72 -38.27 21.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 13.0 mt -65.19 -31.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.9 ttp85 -67.63 -21.89 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.02 -26.58 62.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 99.3 m -75.14 -44.78 45.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.596 ' HD1' HD12 ' A' ' 27' ' ' LEU . 31.6 m-85 -86.82 -19.06 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.14 -53.33 3.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.818 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.01 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HD1' ' A' ' 24' ' ' PHE . 84.7 mt -49.58 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.9 m -75.81 -22.98 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.78 149.26 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -86.93 -33.45 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.04 -18.63 61.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' HD13 ' A' ' 27' ' ' LEU . 99.1 m-20 -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.42 -62.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.52 -40.09 74.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -60.94 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 tm0? -57.85 -34.44 69.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.1 mt -46.13 -56.81 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 86' ' ' ARG . 3.3 mt -42.87 -43.82 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.88 95.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -31.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -79.69 -51.86 4.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 mtmt -40.2 -46.06 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.94 -47.2 52.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD13 ' HE2' ' A' ' 11' ' ' PHE . 14.3 tp -55.09 137.87 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 154.36 42.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.97 127.23 83.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 144.97 30.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.88 -25.48 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -64.87 -44.58 89.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.46 -27.66 60.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.03 -34.44 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.73 60.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -82.68 -20.69 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.733 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.49 -167.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -114.35 152.35 31.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -85.14 136.67 33.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -137.52 138.05 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.13 88.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.95 42.67 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -47.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 170.22 -31.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.2 m-80 -149.35 165.77 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -37.35 144.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 63' ' ' ASN . 82.0 t -140.04 138.32 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 6.2 m-90 -131.41 136.31 47.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.733 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -150.17 135.46 18.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.68 141.72 10.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 42.6 p90 -154.8 170.11 22.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 69' ' ' TYR . 12.4 p -157.99 139.74 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 75' ' ' GLY . 2.3 t -80.87 129.76 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.99 -176.23 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.48 -35.66 81.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -89.84 -27.03 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 131.45 -21.63 4.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.2 mtp -84.74 148.53 26.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -122.84 104.28 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.629 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.672 ' HB2' HG21 ' A' ' 99' ' ' VAL . 81.8 m-85 -86.1 143.92 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 15.7 p90 -164.53 128.67 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -156.62 -154.79 7.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.691 ' OD1' HD22 ' A' ' 47' ' ' LEU . 4.3 p-10 -171.05 -177.32 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -170.8 166.11 7.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -46.55 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.37 116.0 8.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -44.65 -53.52 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mm -59.27 -61.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.75 -43.33 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.522 ' HD3' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -57.21 -49.04 77.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.03 -44.21 98.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.508 HD22 ' HE2' ' A' ' 116' ' ' PHE . 19.4 mt -48.87 -42.61 37.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 88.6 mt -53.41 -54.55 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.585 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -38.31 -64.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.513 HG13 HD22 ' A' ' 115' ' ' LEU . 3.0 t -44.0 -43.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -60.81 -51.94 67.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.547 ' HA ' HG22 ' A' ' 99' ' ' VAL . 3.4 mm? -54.72 -32.61 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.7 -31.3 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.98 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.763 HG12 HD21 ' A' ' 107' ' ' LEU . 16.4 m -94.55 31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.6 tm-20 -55.72 91.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.57 44.75 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -95.27 162.25 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.3 p -94.06 146.97 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.794 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -40.07 -57.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.45 -51.74 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -54.97 12.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.763 HD21 HG12 ' A' ' 99' ' ' VAL . 10.0 mt -47.45 -48.65 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.42 -29.69 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.31 -19.64 53.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 109.42 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 142.92 98.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.41 15.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 116' ' ' PHE . 17.6 mt -78.86 -40.63 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . . . -40.18 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -64.56 -54.05 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CE2' HD21 ' A' ' 133' ' ' LEU . 25.6 m-85 -49.18 -42.94 41.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -71.13 -28.62 64.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -59.03 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 21' ' ' ARG . 9.0 mt -75.25 -26.03 58.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.06 43.77 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.8 mt -85.5 -26.51 26.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.512 HD21 ' CE2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 134' ' ' ASN . 0.9 OUTLIER -75.03 -34.63 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.416 ' N ' ' ND2' ' A' ' 134' ' ' ASN . . . -64.34 -37.85 88.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.5 mt -75.08 -42.58 56.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -65.91 -53.4 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.6 -31.54 25.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.99 -44.21 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 107' ' ' LEU . 21.3 mt -75.81 -37.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.4 mm -58.85 -46.33 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.08 -55.68 13.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 104' ' ' ALA . 7.8 p -50.0 -36.2 27.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -34.82 70.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -41.5 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.16 -53.14 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 148' ' ' LEU . 3.0 mt -45.34 -47.26 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.67 21.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.816 ' CZ ' ' HB1' ' A' ' 93' ' ' ALA . 20.0 m-85 -73.02 70.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.91 44.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.92 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 13' ' ' THR . 2.0 m -119.09 -36.25 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.423 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.31 87.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.852 ' HA ' HG23 ' A' ' 97' ' ' THR . 1.0 OUTLIER -104.88 179.59 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -61.37 -26.93 68.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.63 -61.32 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -48.69 -42.19 34.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 97' ' ' THR . 5.8 mt -63.02 -40.83 98.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' CG ' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.95 -23.33 65.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -67.97 -23.0 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -84.48 -36.24 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 28.7 m-85 -86.05 -26.38 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.68 -53.44 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.824 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.0 Cg_endo -75.07 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.812 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 21.9 mt -58.67 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -78.9 -22.57 45.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.62 115.16 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.432 ' CZ2' ' O ' ' A' ' 120' ' ' GLY . 1.4 t-105 -48.11 -44.23 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 107.989 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.63 -36.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ARG . 73.9 m-20 -64.64 -57.2 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 12.8 mttt -44.17 -57.51 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.53 -23.74 66.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -75.49 -63.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' MET . 60.5 tp60 -55.01 -40.13 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' LEU . 13.5 mt -43.75 -50.83 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 34' ' ' TYR . 3.6 mt -54.08 -38.88 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' GLN . 1.8 mtt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.17 -30.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 -42.53 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -46.19 -54.45 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -44.64 -44.23 8.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.6 131.91 77.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.03 40.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 99.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -55.47 125.96 61.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.13 41.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 tp10 -56.38 -45.36 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -36.26 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.33 -37.65 70.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.58 62.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -86.61 -10.52 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -179.49 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.72 148.82 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.62 137.22 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.2 mt -135.22 110.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.0 89.82 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.92 33.9 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.33 -172.32 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -36.38 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 65' ' ' VAL . 74.0 m-20 -162.49 -178.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.46 148.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' ASN . 81.6 t -144.65 128.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 14.6 m-90 -120.27 145.55 46.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.44 132.08 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -140.89 140.22 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 9.8 p90 -149.12 170.64 17.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 69' ' ' TYR . 15.6 p -152.9 137.54 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 77' ' ' MET . 97.1 t -90.33 142.63 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.29 178.94 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -29.75 70.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -83.6 -8.91 59.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 102.37 -20.53 44.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -45.09 163.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.88 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -151.5 156.01 39.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -143.03 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.768 ' O ' HD12 ' A' ' 96' ' ' LEU . 72.7 m-85 -81.01 151.97 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 28.7 p90 -165.42 119.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -150.73 -149.32 5.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -174.57 170.17 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 t -156.9 167.1 31.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -51.57 6.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.75 155.4 1.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -59.33 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.38 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.55 -50.51 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.764 ' O ' HD23 ' A' ' 92' ' ' LEU . 22.5 ttm180 -46.56 -55.98 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.43 -45.52 94.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 116' ' ' PHE . 3.2 mt -48.87 -44.21 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -60.91 -55.32 34.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.816 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -39.01 -57.92 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -46.78 -44.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 140' ' ' ILE . 7.9 tt -56.98 -48.71 77.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 79' ' ' PHE . 3.1 mm? -56.91 -30.23 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.852 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.3 m -76.83 -31.24 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.43 -31.3 60.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG12 HD21 ' A' ' 107' ' ' LEU . 20.7 m -92.04 30.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 48.59 41.94 26.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -93.77 162.14 14.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.3 p -104.9 152.02 23.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.888 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -40.79 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.57 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.49 -52.9 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.765 HD21 HG12 ' A' ' 99' ' ' VAL . 12.1 mt -47.91 -44.18 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.23 -28.02 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.64 -23.85 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -146.36 116.93 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.8 p -70.51 143.54 90.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.24 18.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.826 HD13 ' NH2' ' A' ' 122' ' ' ARG . 7.6 mt -62.66 -28.68 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -48.91 -60.19 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -38.74 -61.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.63 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 94.9 m-85 -46.96 -51.76 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.43 -38.49 87.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.91 75.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.552 HD23 ' CG ' ' A' ' 21' ' ' ARG . 17.8 mt -74.73 -26.21 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.18 40.91 8.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.683 ' CD1' HG21 ' A' ' 94' ' ' VAL . 21.8 mt -85.02 -54.25 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.826 ' NH2' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.732 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -49.3 -39.93 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.23 80.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 43.6 mt -72.94 -41.51 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.626 ' HB2' HD21 ' A' ' 113' ' ' LEU . 24.9 t -57.65 -54.36 47.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.16 -27.76 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -58.25 -37.21 74.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.706 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 32.2 mt -74.74 -47.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.5 mm -51.09 -49.55 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.831 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -73.49 -45.51 53.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.888 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 29.3 p -63.99 -44.31 93.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.417 ' H ' ' HG1' ' A' ' 144' ' ' THR . 11.8 mmtt -48.33 -40.75 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.76 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 71' ' ' VAL . 94.4 t -73.64 -49.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.613 ' N ' HD23 ' A' ' 148' ' ' LEU . 3.2 mt -50.8 -43.89 58.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.705 ' HE2' HD13 ' A' ' 44' ' ' LEU . 3.8 m-85 -73.78 61.46 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.4 -36.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 14' ' ' THR . 2.1 m -105.42 -89.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 13' ' ' THR . 5.9 m -54.17 -47.37 72.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 3.3 t -96.77 103.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.683 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -121.56 -179.49 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -63.46 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.61 -61.17 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -49.63 -46.51 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 24.2 mt -58.15 -35.55 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -61.39 -28.44 69.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -34.51 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -73.27 -35.84 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.716 ' HD2' HD22 ' A' ' 119' ' ' LEU . 46.4 m-85 -85.94 -23.07 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.48 -54.74 3.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 -42.59 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.76 98.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -98.15 -16.19 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.99 115.76 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.8 t90 -43.35 -44.59 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 10.6 pt-20 -40.41 -48.03 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 67.1 m-20 -65.02 -46.34 81.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -52.39 -53.36 45.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.1 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 38' ' ' ILE . 9.6 ttt85 -73.92 -56.55 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 52.8 tp60 -57.16 -42.2 80.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 121' ' ' LEU . 10.2 mt -43.39 -47.43 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.856 HG23 ' HB3' ' A' ' 86' ' ' ARG . 7.9 mt -54.27 -42.57 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -60.5 -43.15 97.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -45.41 -32.87 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -70.78 -47.1 41.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -43.32 -48.25 6.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -50.54 56.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 ' HE2' ' A' ' 11' ' ' PHE . 28.6 tp -51.08 126.16 25.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.02 152.26 40.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.43 102.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 115.0 7.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.225 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -47.52 77.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -45.08 -46.53 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -44.93 54.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 1.1 mtmt -53.1 -32.44 47.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.16 -28.34 60.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -81.04 -17.08 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.98 176.55 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.9 OUTLIER -107.41 153.54 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -85.02 129.8 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' HB ' HG12 ' A' ' 65' ' ' VAL . 4.5 mt -128.7 152.02 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.09 86.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.99 52.91 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.9 m -146.37 -48.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 172.66 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.685 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 m-20 -148.75 173.12 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -37.89 146.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 63' ' ' ASN . 95.6 t -142.32 150.78 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' ' HD3' ' A' ' 52' ' ' LYS . 7.6 m-90 -143.21 144.03 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -146.91 132.6 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -146.46 137.44 6.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.507 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 14.0 p90 -149.35 160.1 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -146.23 140.28 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.04 141.66 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.21 -175.01 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.37 -39.87 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.0 p-10 -85.85 -28.15 24.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.05 -19.08 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -44.68 100.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -85.74 161.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -142.93 104.36 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.945 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 64.5 m-85 -85.16 152.98 22.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.897 ' HA ' HD21 ' A' ' 96' ' ' LEU . 2.2 p90 -165.73 170.21 14.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.061 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.31 -151.78 20.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.135 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 2.8 p-10 -172.9 164.68 5.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.441 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 5.6 t -154.95 158.25 38.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -46.42 27.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -52.63 121.97 17.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.856 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.33 -59.1 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.9 -55.94 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 91' ' ' LEU . 38.2 t -47.32 -35.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 83' ' ' SER . 7.5 ttt85 -70.6 -44.19 67.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.32 -42.29 90.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 88' ' ' VAL . 64.5 mt -50.18 -39.94 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mt -46.84 -49.75 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.826 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -48.51 -67.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 121' ' ' LEU . 5.7 t -47.81 -37.32 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.019 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -65.06 -55.52 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.897 HD21 ' HA ' ' A' ' 80' ' ' PHE . 8.8 mp -61.3 -25.87 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.45 -31.1 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.84 64.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 140' ' ' ILE . 24.9 m -103.78 32.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.26 80.9 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -144.78 158.23 43.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.9 p -75.62 146.3 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -52.72 -37.8 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -30.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.622 ' CD2' HG12 ' A' ' 99' ' ' VAL . 8.9 mt -64.19 -40.73 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' ALA . 5.3 mt-30 -71.53 -27.02 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.22 -29.21 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -102.71 119.6 39.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 114' ' ' ALA . 78.8 p -75.65 113.94 31.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.91 2.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 137' ' ' SER . 13.3 mt -59.26 -31.5 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.425 ' HB2' ' OG ' ' A' ' 111' ' ' SER . . . -50.57 -43.6 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -50.16 -59.73 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 94' ' ' VAL . 76.2 m-85 -46.2 -52.35 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -63.04 -36.46 83.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -48.48 78.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 24' ' ' PHE . 53.0 mt -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.39 35.37 8.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.715 HD11 HG21 ' A' ' 94' ' ' VAL . 22.3 mt -84.25 -42.9 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 138' ' ' GLU . . . -64.03 -49.01 74.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.633 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.1 mt -63.73 -36.12 82.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.478 ' HB2' HD21 ' A' ' 113' ' ' LEU . 2.8 t -60.68 -59.86 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 135' ' ' ALA . 7.8 pt-20 -51.35 -29.08 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.97 82.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 1.026 ' O ' HG23 ' A' ' 144' ' ' THR . 16.4 mt -72.35 -36.32 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.8 mm -62.26 -56.04 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.83 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.18 -49.5 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 140' ' ' ILE . 28.9 p -65.47 -48.02 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -27.65 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.28 -49.85 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.59 -34.39 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 148' ' ' LEU . 8.0 mt -63.22 -53.86 46.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -13.3 21.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HE2' HD12 ' A' ' 44' ' ' LEU . 17.0 m-85 -65.39 85.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.02 -35.96 2.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -90.54 -34.36 15.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 0.731 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -112.86 -35.07 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.6 m -125.53 89.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m -79.82 171.86 14.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.836 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -53.91 -26.59 25.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 26.8 tt0 -81.61 -62.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -43.29 -35.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 97' ' ' THR . 1.2 mt -65.75 -50.12 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -64.32 -18.97 65.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -70.21 -40.42 74.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 2.0 m -75.68 -32.07 59.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 21.8 m-85 -86.27 -21.42 27.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.805 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.08 -54.21 3.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.805 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.01 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 18.8 mt -64.97 92.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -88.55 -21.28 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.69 128.97 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -56.95 -40.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.005 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -47.56 -35.32 8.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 71.0 m-20 -70.1 -57.27 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -53.38 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.03 -37.4 74.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -56.63 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' A' ' 39' ' ' MET . 66.0 tp60 -55.7 -40.4 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -47.47 -48.42 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 86' ' ' ARG . 10.4 mt -54.66 -37.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.408 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 2.5 mtt -73.6 -26.14 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.79 -23.25 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.89 -46.16 9.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -45.69 -39.5 8.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -59.97 -47.79 84.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.37 131.61 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.57 31.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.767 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.23 113.15 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' A' ' 48' ' ' PRO . 22.6 tp -67.83 123.37 86.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.99 158.94 41.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.61 -38.83 92.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.27 -42.6 81.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.59 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.1 mtmt -55.95 -40.96 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.68 -17.35 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.7 17.05 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.91 -171.35 2.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -119.79 149.17 42.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.8 117.8 24.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 3.4 mm -87.96 158.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.74 102.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.05 -33.5 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ASN . 42.2 m -74.52 176.37 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -38.49 -31.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.7 m-20 -164.41 177.37 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -53.14 143.33 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 12.5 t -139.41 129.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 17.6 m-90 -98.28 126.12 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.8 tt -143.65 144.41 31.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -158.97 159.08 30.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.585 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 35.9 p90 -167.49 164.33 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -140.72 138.62 34.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.525 HG12 ' HA2' ' A' ' 75' ' ' GLY . 6.1 t -82.45 122.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -178.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -35.81 82.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 11.0 p-10 -86.03 -29.41 23.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.525 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 133.07 -26.03 3.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -44.56 103.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.444 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.1 mtp -85.48 156.11 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -139.41 118.14 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 140' ' ' ILE . 25.1 m-85 -102.1 150.87 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 26.0 p90 -166.48 113.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -148.91 -148.24 4.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.445 ' CG ' HD23 ' A' ' 47' ' ' LEU . 35.4 p-10 -163.89 -170.4 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -156.54 154.31 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -80.77 -37.13 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.4 176.23 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -88.58 -58.31 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.351 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.498 HG22 HD12 ' A' ' 91' ' ' LEU . 24.3 mm -45.42 -66.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.4 t -47.56 -36.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 1.7 ttt180 -54.97 -51.58 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.52 -50.74 53.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.909 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -45.62 -44.99 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.58 -58.82 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.88 -64.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 116' ' ' PHE . 2.2 t -41.45 -51.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.6 tt -53.29 -55.92 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -56.84 -30.35 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 20' ' ' LEU . 17.8 m -75.7 -32.1 59.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.26 -32.63 61.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.055 HG12 HD21 ' A' ' 107' ' ' LEU . 35.0 m -92.31 32.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.33 99.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.94 45.47 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -94.76 162.69 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.6 p -101.78 155.02 18.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.511 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -46.57 -53.25 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -49.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -45.83 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.055 HD21 HG12 ' A' ' 99' ' ' VAL . 9.7 mt -51.67 -41.18 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 34.2 mt-30 -73.23 -28.64 62.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.89 59.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.45 110.32 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -75.11 152.51 86.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.52 8.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.23 -25.12 61.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.41 -58.29 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.836 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.89 -61.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CE1' HD23 ' A' ' 91' ' ' LEU . 10.5 m-85 -44.83 -51.37 9.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.12 -52.72 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.51 -57.18 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.97 -31.09 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.92 37.66 5.98 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.47 HD22 HD11 ' A' ' 37' ' ' LEU . 67.9 mt -85.26 -68.53 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.81 -56.11 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.87 -59.1 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -44.55 -58.93 2.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 140' ' ' ILE . 41.4 t -56.35 -51.58 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -41.4 -38.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -51.0 -45.09 61.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 144' ' ' THR . 3.5 mt -75.23 -46.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 141' ' ' ILE . 5.9 mm -53.13 -39.41 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.05 88.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.585 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.92 -48.01 67.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 140' ' ' ILE . 67.6 p -51.85 -40.74 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -58.01 -37.35 74.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.05 59.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 71' ' ' VAL . 93.5 t -69.69 -56.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 148' ' ' LEU . 6.7 mt -46.35 -46.67 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 80' ' ' PHE . 5.5 m80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -74.99 75.11 3.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HE2' HD12 ' A' ' 44' ' ' LEU . 56.2 m-85 -154.33 57.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.52 -29.48 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -99.16 -60.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -91.47 -45.64 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG13 ' HG ' ' A' ' 20' ' ' LEU . 7.5 t -87.5 97.12 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -108.69 165.71 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -48.88 -25.06 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tt0 -76.61 -54.82 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -59.18 -37.94 78.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 97' ' ' THR . 2.5 mt -65.85 -57.41 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -59.36 -18.9 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -30.14 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -85.73 -32.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 36.1 m-85 -85.42 -25.43 26.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.23 -54.18 3.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.98 -43.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 32' ' ' ASP . 37.0 mt -66.49 88.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 28' ' ' THR . 88.3 m -90.69 19.93 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -119.96 120.38 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -54.42 -39.5 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -52.91 -36.73 59.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.35 -56.32 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 9.6 mttt -45.97 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.813 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -52.55 -31.95 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -62.28 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -22.63 42.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 121' ' ' LEU . 14.3 mt -58.99 -48.82 80.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.5 mp -51.31 -35.65 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtt -75.5 -32.97 60.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -49.89 -32.16 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -41.79 91.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -47.04 -50.43 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -49.52 -35.58 20.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD12 ' HE2' ' A' ' 11' ' ' PHE . 3.7 tp -60.15 127.78 86.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.28 43.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.07 98.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.725 HD22 ' OD1' ' A' ' 82' ' ' ASP . 2.9 tp -61.43 128.48 89.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.51 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.96 138.15 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.68 -25.06 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -63.74 -42.76 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -74.52 -29.29 61.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 9.0 mttt -58.91 -34.42 71.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.63 -14.71 60.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -90.85 -10.72 41.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.47 -174.03 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -123.64 148.47 46.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.19 86.43 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 58' ' ' ILE . 1.2 mt -65.5 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.98 169.86 11.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.44 -26.85 13.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.83 -176.36 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -49.02 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 m120 -155.53 -172.72 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' CH2' ' A' ' 66' ' ' TRP . 17.0 ptp180 -53.88 119.3 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' ILE . 40.1 t -115.25 130.04 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.527 ' CH2' ' HG3' ' A' ' 64' ' ' ARG . 22.7 m-90 -108.56 118.39 36.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.655 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 3.1 tt -135.03 144.98 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -142.5 157.42 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.453 ' CE1' ' HB1' ' A' ' 143' ' ' ALA . 25.7 p90 -159.45 151.18 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' MET . 3.3 p -146.89 146.4 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -94.7 139.09 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.76 -162.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.88 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.3 p-10 -73.88 -30.32 62.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 127.34 -12.42 6.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.486 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -44.04 108.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 70' ' ' THR . 44.8 mtp -81.97 143.24 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.574 ' O ' ' CE2' ' A' ' 80' ' ' PHE . 10.9 m170 -123.1 104.33 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.749 ' CE2' HG23 ' A' ' 140' ' ' ILE . 84.5 m-85 -90.21 141.86 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 78' ' ' HIS . 2.6 p90 -166.35 132.67 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -160.16 -155.46 7.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.725 ' OD1' HD22 ' A' ' 47' ' ' LEU . 19.2 p-10 -174.42 115.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.754 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.543 ' HB2' HD11 ' A' ' 92' ' ' LEU . 44.3 t -86.0 171.48 11.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.04 -48.08 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.79 152.77 52.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.45 -29.92 57.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.483 HG22 ' CD1' ' A' ' 91' ' ' LEU . 25.4 mm -68.6 -67.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -46.07 -43.51 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.846 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.01 -55.4 5.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -62.51 -44.52 97.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.94 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -50.15 -48.4 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.8 mt -47.3 -43.51 22.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.4 -70.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 121' ' ' LEU . 21.0 t -43.25 -52.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.8 tt -52.0 -58.79 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -57.73 -29.03 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.991 HG21 HD12 ' A' ' 20' ' ' LEU . 19.1 m -75.46 -33.86 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -74.67 -32.55 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.914 HG12 ' CD2' ' A' ' 107' ' ' LEU . 30.7 m -96.26 32.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' GLY . 9.1 pt-20 -56.19 104.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 35.48 47.24 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -95.29 151.44 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 p -87.16 148.03 25.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.21 -53.63 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.25 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.91 -47.61 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.914 ' CD2' HG12 ' A' ' 99' ' ' VAL . 20.1 mt -54.02 -45.07 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' CD ' HD12 ' A' ' 148' ' ' LEU . 13.4 mt-30 -63.01 -34.28 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.95 -14.4 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -115.21 -173.55 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -163.85 131.76 2.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.753 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -74.96 -27.14 10.34 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 133' ' ' LEU . 7.7 mt -55.24 -26.12 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.13 -54.4 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.04 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.24 -50.25 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.94 ' CE1' HD23 ' A' ' 91' ' ' LEU . 48.7 m-85 -53.99 -55.28 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.11 -40.03 92.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -52.04 67.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 21' ' ' ARG . 45.0 mt -73.8 -24.49 59.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 94.1 24.07 20.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.929 HD22 HD11 ' A' ' 37' ' ' LEU . 84.4 mt -83.02 2.98 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.442 ' HG3' HD12 ' A' ' 133' ' ' LEU . 11.2 ttp180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 116' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.27 -58.32 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.86 -61.84 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.593 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.8 mt -42.52 -59.09 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.49 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.5 t -51.55 -51.32 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -46.26 -34.99 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.46 -35.55 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 1.034 ' O ' HG23 ' A' ' 144' ' ' THR . 11.6 mm -75.15 -40.62 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.47 -54.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.53 -36.06 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 69' ' ' TYR . . . -71.82 -48.22 47.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 1.034 HG23 ' O ' ' A' ' 140' ' ' ILE . 52.0 p -62.83 -44.25 96.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -38.4 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -59.25 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.26 -57.28 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.493 HD12 ' CD ' ' A' ' 108' ' ' GLN . 2.9 mt -48.61 -36.89 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.625 ' HB2' HD12 ' A' ' 44' ' ' LEU . 1.1 t-80 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 50.28 2.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -72.03 60.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.87 -34.53 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -97.9 -84.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.412 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 -48.48 54.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 15' ' ' VAL . 27.5 t -89.35 79.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.536 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -94.04 168.34 11.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.77 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -58.72 -23.33 59.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 24.6 tt0 -82.05 -59.75 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.8 m -46.92 -33.71 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 97' ' ' THR . 0.9 OUTLIER -62.69 -54.37 40.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -60.4 -18.67 52.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -66.38 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -83.64 -29.85 27.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 28.1 m-85 -86.45 -24.39 25.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.86 -52.78 3.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 -32.33 5.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 24' ' ' PHE . 20.1 mt -72.1 88.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 m -84.32 -21.6 30.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.77 119.37 23.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -54.61 -29.65 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.37 -32.7 72.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.04 -56.59 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HB3' HD21 ' A' ' 121' ' ' LEU . 10.5 mttt -46.75 -62.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.81 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.75 -31.65 49.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -23.1 37.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.105 HD11 HD22 ' A' ' 121' ' ' LEU . 12.4 mt -58.29 -44.17 88.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.09 -32.91 51.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmt -75.26 -28.39 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD21 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.79 -40.69 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.59 88.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.16 -45.72 53.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.85 -42.31 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 9' ' ' HIS . 10.5 tp -60.19 133.81 90.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.46 35.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.83 107.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 48' ' ' PRO . 6.3 tp -63.81 133.84 95.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.93 152.48 41.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -60.58 -44.09 96.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.36 -29.69 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' HD23 ' A' ' 47' ' ' LEU . 10.1 mttt -58.57 -34.5 71.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.52 60.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -87.96 -17.37 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -93.71 -169.41 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.1 mtmm -114.01 150.05 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 133.17 34.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.491 ' HB ' HG12 ' A' ' 65' ' ' VAL . 7.7 mt -131.46 133.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.23 -170.67 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.77 -16.87 43.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.64 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -38.15 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 65' ' ' VAL . 26.0 m120 -157.15 178.04 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.64 150.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 63' ' ' ASN . 92.6 t -145.27 145.51 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.8 m-90 -138.3 146.46 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -158.97 132.97 7.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -136.86 150.65 20.66 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' THR . 44.2 p90 -156.28 174.11 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 69' ' ' TYR . 9.2 p -158.57 146.37 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.696 HG22 ' SD ' ' A' ' 77' ' ' MET . 2.4 t -109.37 163.99 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.44 -171.9 3.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -51.81 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -63.98 -12.72 40.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.551 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 84.13 -12.83 52.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -48.1 156.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.696 ' SD ' HG22 ' A' ' 71' ' ' VAL . 84.9 mtp -150.53 140.34 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.42 104.18 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 87.7 m-85 -74.87 147.45 41.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 31.4 p90 -157.39 123.05 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.6 -159.75 9.21 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -166.24 173.82 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 92' ' ' LEU . 3.2 t -157.31 168.95 25.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -40.25 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.02 131.64 50.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.4 77.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 87' ' ' ILE . 3.6 tp -81.7 -48.33 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 94.5 t -52.74 -46.31 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.3 ttt180 -45.02 -55.05 5.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.71 89.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.42 -41.9 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 89' ' ' ARG . 2.9 mt -59.96 -52.69 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG13 HD22 ' A' ' 115' ' ' LEU . 2.1 t -47.98 -46.39 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.498 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.4 tt -59.12 -58.96 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.2 mt -52.79 -29.89 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 20' ' ' LEU . 2.7 m -75.63 -28.15 58.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -73.67 -31.33 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.047 HG12 HD21 ' A' ' 107' ' ' LEU . 13.0 m -92.9 32.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 2.0 pt-20 -55.55 100.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 39.58 43.53 2.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -88.76 165.12 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.8 p -106.08 155.95 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -45.07 -54.32 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.35 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -47.46 -52.48 16.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.047 HD21 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -49.43 -46.27 47.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.42 -33.82 76.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.01 -0.61 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 107' ' ' LEU . 1.1 tt0 -134.11 -173.19 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -163.97 128.56 1.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.755 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.99 -8.31 19.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 133' ' ' LEU . 14.8 mt -76.32 -28.2 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.07 96.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.77 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -50.47 -53.79 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.448 ' CD1' HG11 ' A' ' 94' ' ' VAL . 21.6 m-85 -50.0 -53.75 24.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.53 -38.9 91.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -56.49 21.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 21' ' ' ARG . 93.0 mt -64.43 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.22 30.88 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.105 HD22 HD11 ' A' ' 37' ' ' LEU . 95.8 mt -85.78 -102.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 2.3 ttt-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 113' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -43.54 -31.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.66 73.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 3.5 mt -64.73 -38.69 91.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.3 t -62.19 -59.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.02 -27.46 32.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.17 -42.4 90.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 33.8 mt -75.48 -36.29 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.53 -51.95 67.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.74 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.32 -61.6 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.9 p -51.77 -36.06 46.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -55.13 -30.87 60.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.42 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.662 ' CG2' HG21 ' A' ' 71' ' ' VAL . 73.9 t -62.47 -53.62 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.7 -53.02 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 6.3 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.704 ' HB2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.07 -79.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.674 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.2 m-85 31.77 91.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.25 -42.1 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -65.75 -56.77 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -114.85 -28.99 6.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 10' ' ' PRO . 16.1 m -111.93 90.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.61 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -94.47 164.91 12.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.026 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -49.1 -36.41 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 tt0 -71.02 -61.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 m -42.7 -38.47 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 97' ' ' THR . 1.4 mt -65.51 -51.66 58.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.35 -21.01 64.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 m-20 -72.41 -34.2 67.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.731 HG21 ' OE1' ' A' ' 36' ' ' GLN . 85.2 m -77.4 -34.24 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.688 ' HD2' HD22 ' A' ' 119' ' ' LEU . 16.7 m-85 -85.85 -23.66 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.816 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.89 -53.62 7.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.816 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.09 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.8 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.32 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' OE1' ' A' ' 29' ' ' GLN . 15.1 t -75.99 -25.2 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' OE1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -78.81 105.2 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -44.35 -42.22 6.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.37 -35.82 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -64.76 -57.09 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -42.78 -63.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.3 t80 -52.88 -30.9 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -62.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.731 ' OE1' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -56.41 -18.79 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 34' ' ' TYR . 13.1 mt -64.02 -38.53 91.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -65.16 -34.4 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.39 -43.99 92.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -45.47 -50.33 12.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.3 -53.42 13.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -38.55 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.86 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -59.72 138.99 89.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.98 161.47 38.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.03 106.45 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -54.73 127.37 60.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.03 167.83 26.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -43.94 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.0 pt-20 -51.75 -42.98 62.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -33.51 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 mtmt -55.51 -33.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.02 -21.58 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.03 -20.28 45.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.92 -168.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtmm -113.0 150.34 32.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.28 129.05 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' VAL . 8.0 mt -127.22 114.91 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.7 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.58 35.76 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -141.36 -171.24 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' A' ' 88' ' ' VAL . 4.0 mm-40 -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 t-20 -174.5 -175.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -42.65 144.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 136' ' ' LEU . 96.2 t -138.46 129.5 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 64' ' ' ARG . 2.5 m-90 -117.78 139.54 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -158.27 134.11 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.39 151.27 21.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' THR . 30.3 p90 -154.21 160.88 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' TYR . 20.4 p -157.47 156.37 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -108.62 140.36 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.28 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.02 69.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -25.02 23.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.818 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 109.6 -22.24 24.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.75 107.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -75.96 157.52 33.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -140.83 104.15 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.78 ' CD1' HG21 ' A' ' 99' ' ' VAL . 69.7 m-85 -84.55 149.49 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 21.5 p90 -165.5 117.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -150.79 -153.03 6.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.611 ' OD1' HD22 ' A' ' 47' ' ' LEU . 9.0 p-10 -170.07 -171.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.01 145.17 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 25.34 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -113.6 176.6 17.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -90.42 -59.42 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 mm -78.98 -44.27 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 62' ' ' GLU . 60.0 t -50.07 -37.6 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.768 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.0 ttt180 -61.67 -37.49 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.44 -42.57 27.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.937 HD23 ' CE1' ' A' ' 116' ' ' PHE . 5.6 mt -50.9 -49.47 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.32 -52.27 28.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.706 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.25 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.2 t -39.74 -46.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.942 HD21 HD11 ' A' ' 140' ' ' ILE . 10.1 tt -58.15 -56.45 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -52.58 -30.63 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 20' ' ' LEU . 1.8 m -75.03 -27.91 60.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.6 64.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.905 HG12 HD22 ' A' ' 107' ' ' LEU . 17.6 m -95.24 31.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.09 82.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -144.73 159.36 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.9 p -87.11 147.06 25.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.09 -56.01 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.23 -49.43 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -48.23 68.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.905 HD22 HG12 ' A' ' 99' ' ' VAL . 42.5 mt -54.64 -44.47 73.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -61.44 -34.98 76.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.41 -21.44 59.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.96 103.43 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.41 151.93 94.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -80.41 -22.73 40.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.78 84.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.71 -60.16 4.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.937 ' CE1' HD23 ' A' ' 91' ' ' LEU . 33.1 m-85 -48.09 -44.11 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.89 -43.63 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -60.8 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.688 HD22 ' HD2' ' A' ' 24' ' ' PHE . 90.0 mt -60.48 -30.0 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.24 41.81 7.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 37' ' ' LEU . 21.3 mt -85.25 -45.66 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 1.5 tmm_? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.616 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.433 ' N ' ' HG ' ' A' ' 133' ' ' LEU . 5.4 p30 -50.03 -33.14 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -63.17 -35.82 81.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 65' ' ' VAL . 9.5 mt -73.78 -35.93 65.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -56.99 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -49.83 -30.2 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.74 -38.11 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.942 HD11 HD21 ' A' ' 95' ' ' LEU . 36.2 mt -75.05 -41.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 mm -56.08 -52.14 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.19 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.87 -56.18 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.43 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 32.5 p -56.53 -41.56 76.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -33.14 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -49.05 22.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.43 -47.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -66.22 -25.29 66.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.622 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -69.92 80.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 16' ' ' THR . . . 176.26 -63.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -108.63 -64.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 19' ' ' THR . 16.6 m -60.34 -40.78 91.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.6 t -121.49 70.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' GLY . 2.1 m -89.21 170.66 10.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.065 ' HB2' HD21 ' A' ' 115' ' ' LEU . . . -57.1 -30.99 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.7 tp10 -74.91 -60.11 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 14' ' ' THR . 54.5 m -45.24 -42.81 9.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 97' ' ' THR . 7.6 mt -64.4 -35.91 82.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.595 ' HG3' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -64.3 -21.1 66.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.78 -36.11 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.24 -35.22 68.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE1' ' CD ' ' A' ' 36' ' ' GLN . 76.7 m-85 -86.14 -22.06 27.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.03 -54.55 3.22 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.94 -37.86 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.78 86.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.3 t -84.33 -24.78 29.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.91 118.29 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.453 ' CH2' ' CE2' ' A' ' 34' ' ' TYR . 18.0 t90 -47.75 -43.31 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -41.48 -30.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 5.8 mttt -46.3 -51.32 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CE2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -62.05 -33.26 74.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.49 -60.9 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.583 ' CD ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -55.06 -31.89 61.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 37' ' ' LEU . 7.3 mt -52.87 -24.58 9.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.696 HG23 ' HB3' ' A' ' 86' ' ' ARG . 47.0 mt -75.24 -51.05 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 1.8 ptm -54.06 -28.19 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HG2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -45.24 -60.22 2.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.32 -56.66 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -49.97 -32.93 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -46.17 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.83 149.2 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.97 35.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.62 108.33 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.802 HD12 ' HD2' ' A' ' 48' ' ' PRO . 12.5 tp -66.43 134.15 94.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -74.99 153.54 41.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -31.63 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -44.82 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.19 -32.94 67.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -53.1 -36.02 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.0 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.74 -25.53 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -91.8 -169.9 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 1.1 mtmm -120.73 146.02 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -80.88 122.64 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -92.28 175.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.658 ' H ' HG22 ' A' ' 58' ' ' ILE . . . -167.54 67.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.93 29.11 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.8 m -133.89 -178.63 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -25.4 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.96 -168.15 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -59.51 153.49 19.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 83' ' ' SER . 1.4 t -147.98 164.18 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 31.5 m-90 -135.75 141.19 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.647 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.12 133.98 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -141.8 140.62 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 23.1 p90 -153.84 164.73 37.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.8 p -150.31 137.8 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.848 HG22 ' HG3' ' A' ' 77' ' ' MET . 57.7 t -91.15 145.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.79 172.97 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -10.39 32.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -32.36 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 131.45 -25.99 3.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 1.9 mttm -44.56 163.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.848 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -152.37 157.81 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -143.69 105.67 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.23 154.46 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 68' ' ' GLY . 8.9 p90 -161.03 119.79 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -139.47 -170.31 11.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.467 ' CG ' HD23 ' A' ' 47' ' ' LEU . 14.0 p-10 -173.63 107.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.643 ' HB2' HG13 ' A' ' 65' ' ' VAL . 29.8 t -83.35 171.23 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -82.83 -38.52 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.92 161.08 54.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.696 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -87.8 -31.66 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 0.708 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -73.95 -49.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.638 ' HA ' HD12 ' A' ' 91' ' ' LEU . 43.5 t -58.68 -52.38 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.4 mtt180 -43.6 -36.56 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.27 -49.04 28.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 88' ' ' VAL . 10.4 mt -48.69 -53.46 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 89' ' ' ARG . 1.2 mt -51.26 -46.06 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.94 -70.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.3 t -42.37 -44.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 140' ' ' ILE . 10.3 tt -60.81 -56.52 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 2.7 mt -50.31 -30.34 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 20' ' ' LEU . 2.8 m -76.07 -28.06 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -74.56 -30.3 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.105 HG12 HD21 ' A' ' 107' ' ' LEU . 5.6 m -92.27 31.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CG ' ' HA2' ' A' ' 12' ' ' GLY . 5.5 tm-20 -55.47 103.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 40.06 36.62 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.92 159.33 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.2 p -100.35 153.38 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -44.96 -54.8 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.74 -55.6 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -50.17 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.105 HD21 HG12 ' A' ' 99' ' ' VAL . 5.5 mt -52.16 -48.91 64.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.91 -34.62 73.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.02 -20.9 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -163.77 118.66 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -68.39 145.65 97.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 18.5 Cg_endo -74.98 0.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 137' ' ' SER . 12.8 mt -71.66 -21.27 61.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -59.0 -48.36 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.065 HD21 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.67 -50.7 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 91' ' ' LEU . 91.2 m-85 -58.6 -62.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.94 -31.86 42.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -50.97 69.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 21' ' ' ARG . 30.4 mt -75.52 -26.17 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.66 23.97 6.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.1 mt -86.27 -48.57 8.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HB2' ' CB ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.55 -50.79 19.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.9 -50.5 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.578 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.3 mt -58.52 -51.98 67.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 113' ' ' LEU . 3.1 t -54.91 -49.0 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.79 -37.08 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.01 -41.85 68.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.784 ' CG2' HD13 ' A' ' 107' ' ' LEU . 37.9 mt -72.65 -46.47 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.7 mm -50.56 -49.03 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.25 87.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -59.38 -59.77 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 140' ' ' ILE . 53.4 p -52.56 -45.96 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -45.53 -33.41 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -62.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 71' ' ' VAL . 96.0 t -51.72 -47.04 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.77 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 m170 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.16 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE1' ' HB1' ' A' ' 93' ' ' ALA . 25.8 m-85 -71.74 80.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 -37.51 1.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m -78.67 -82.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.573 ' O ' HG21 ' A' ' 19' ' ' THR . 2.9 m -95.66 -6.27 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 58.8 t -132.15 71.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 18' ' ' GLU . 5.3 t -101.83 -169.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.967 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -58.05 -31.83 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.614 ' H ' HG23 ' A' ' 16' ' ' THR . 19.5 tt0 -70.01 -61.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 14' ' ' THR . 53.3 m -55.47 -40.92 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 97' ' ' THR . 9.1 mt -65.63 -29.34 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.694 ' CG ' HD21 ' A' ' 119' ' ' LEU . 8.3 mtm105 -74.55 -19.31 60.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.83 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -71.62 -38.05 70.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.8 m-85 -87.04 -19.18 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.97 -52.7 3.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 -40.16 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.29 82.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -28.83 59.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -73.13 129.79 38.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.68 ' O ' ' CE3' ' A' ' 30' ' ' TRP . 1.8 t-105 -71.53 -31.59 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.98 -12.44 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.06 -58.0 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -51.78 -49.25 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.676 ' HA ' HD12 ' A' ' 37' ' ' LEU . 17.0 t80 -47.81 -36.76 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -58.2 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -24.11 49.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 121' ' ' LEU . 12.6 mt -54.33 -31.91 55.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.71 -30.4 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttm -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -40.59 -50.08 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.25 -55.42 21.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -42.96 -41.85 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.32 -46.18 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 141.02 81.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.51 38.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.39 100.67 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.53 114.45 8.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.6 42.64 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -46.08 -35.4 4.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.0 tp10 -53.87 -53.15 56.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -74.88 -33.92 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 6.0 mttt -63.33 -33.79 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.99 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -83.24 -5.75 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 179.39 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -106.3 153.07 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 136.97 33.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' VAL . 19.3 mt -136.43 139.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.33 40.05 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -135.89 -47.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 1.4 mt-10 176.07 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 40.5 m-80 -155.66 -173.32 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -49.63 141.37 9.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 63' ' ' ASN . 54.1 t -143.85 118.31 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 19.9 m-90 -110.91 132.17 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -140.62 134.94 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -135.16 149.0 19.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.652 ' O ' HG23 ' A' ' 70' ' ' THR . 7.0 p90 -166.11 165.24 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -159.11 142.28 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 77' ' ' MET . 73.9 t -84.27 136.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.83 169.42 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -65.14 -11.38 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -16.03 15.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.67 -38.01 3.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -83.65 162.68 20.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 24.4 m170 -137.68 103.91 5.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.688 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 53.9 m-85 -90.86 148.64 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 53.1 p90 -165.41 175.48 9.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 155.37 -157.08 27.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 47' ' ' LEU . 8.4 p-10 -164.86 177.83 7.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -155.13 158.14 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -83.37 -30.89 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.13 48.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -83.31 -51.17 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.2 mm -65.29 -53.6 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.1 t -50.37 -44.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -47.39 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.17 -46.09 52.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.433 ' CD2' ' CE2' ' A' ' 116' ' ' PHE . 13.1 mt -47.45 -27.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.862 ' O ' HD22 ' A' ' 96' ' ' LEU . 98.0 mt -65.21 -59.93 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.633 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -39.65 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.064 HG21 HD12 ' A' ' 121' ' ' LEU . 24.2 t -42.43 -42.7 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -60.05 -61.24 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.862 HD22 ' O ' ' A' ' 92' ' ' LEU . 1.7 mm? -53.38 -29.5 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.17 -35.25 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.3 99.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 107' ' ' LEU . 16.9 m -90.59 33.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.39 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.55 80.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -144.19 157.12 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -77.38 146.44 36.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -45.39 -43.56 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.52 -55.32 33.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.02 -44.47 30.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 99' ' ' VAL . 78.9 mt -53.94 -47.02 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.34 -17.64 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.32 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 107' ' ' LEU . 7.7 tt0 -137.78 119.63 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.7 m -65.97 127.75 93.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.18 15.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 137' ' ' SER . 15.6 mt -61.66 -22.26 65.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -54.28 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.15 -57.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 120' ' ' GLY . 95.8 m-85 -50.64 -58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.22 -40.6 71.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.11 55.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 21' ' ' ARG . 71.7 mt -76.11 -1.04 24.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.617 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . . . 50.18 33.19 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.064 HD12 HG21 ' A' ' 94' ' ' VAL . 7.6 mt -79.31 3.32 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.481 ' CB ' HD11 ' A' ' 133' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 122' ' ' ARG . 1.3 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -64.15 -54.35 35.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.16 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 95' ' ' LEU . 5.7 mt -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.525 ' HB2' HD21 ' A' ' 113' ' ' LEU . 30.0 t -62.72 -48.77 77.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.59 -38.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.74 82.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.912 ' O ' HG23 ' A' ' 144' ' ' THR . 26.4 mt -72.62 -37.11 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 -54.22 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.04 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.1 -58.14 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.0 p -55.77 -42.8 76.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -37.04 63.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -42.44 56.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.63 -36.47 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 148' ' ' LEU . 7.8 mt -71.85 -28.17 63.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -174.51 174.12 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -158.36 108.77 1.68 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.69 35.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -147.13 134.85 21.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -146.9 176.59 9.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.8 75.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.73 48.31 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 2.1 p-80 -75.45 157.02 84.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -75.02 -85.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 44' ' ' LEU . 2.7 m-85 33.53 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.16 -55.77 1.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -51.07 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -117.87 -11.65 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 15' ' ' VAL . 54.6 t -116.44 70.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.52 154.32 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -46.9 -29.12 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' ARG . 12.9 tp10 -74.39 -57.57 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -47.1 -40.31 15.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 94' ' ' VAL . 11.8 mt -65.27 -36.37 83.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.682 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.37 -29.72 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -74.24 -31.06 62.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.8 m -77.58 -41.0 40.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 121' ' ' LEU . 20.5 m-85 -86.12 -20.35 28.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.865 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.64 -55.36 3.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.865 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.8 mt -72.52 91.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 t -88.58 -20.71 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.5 125.66 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -53.44 -41.39 66.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -44.1 -39.56 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.91 -54.97 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -47.77 -56.01 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -60.22 -30.25 69.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.23 -61.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 -34.03 66.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.089 HD11 HD22 ' A' ' 121' ' ' LEU . 12.7 mt -52.11 -42.05 62.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -56.84 -45.83 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.4 mtt -65.4 -28.66 69.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD22 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -56.05 -38.84 71.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.67 -50.75 46.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.36 -45.09 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.29 -44.98 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 11' ' ' PHE . 4.4 mp -57.44 144.26 72.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.14 40.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.46 115.75 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 tp -66.38 114.58 17.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.13 27.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.36 -42.76 96.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.4 tp10 -50.34 -44.03 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -35.08 64.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -54.45 -36.6 64.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.0 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.27 -19.53 53.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 176.68 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.19 151.56 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 135.87 33.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 65' ' ' VAL . 2.9 mt -133.31 108.97 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.7 42.51 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.72 34.4 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -141.57 -175.6 4.43 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.12 -42.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 t-20 -158.31 -175.14 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.68 147.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 63' ' ' ASN . 25.4 t -148.76 123.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -115.66 133.72 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -151.7 142.48 22.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.06 150.7 21.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.75 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 27.2 p90 -157.19 173.12 17.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 69' ' ' TYR . 2.8 p -154.45 139.37 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.797 HG12 ' HA2' ' A' ' 75' ' ' GLY . 1.4 t -81.27 129.65 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.05 -170.37 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.06 -48.01 80.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -79.61 -28.17 41.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.797 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 129.8 -17.14 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.474 ' HG3' HG13 ' A' ' 71' ' ' VAL . 9.1 mtp -79.16 150.54 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.88 111.48 14.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.54 149.01 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 46.1 p90 -165.56 123.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.47 -159.36 12.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -168.57 -175.32 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.4 t -158.47 163.37 37.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.04 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.4 110.44 3.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.83 -49.68 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 88' ' ' VAL . 5.6 tp -50.1 -57.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.56 ' N ' HG23 ' A' ' 87' ' ' ILE . 84.3 t -56.05 -46.8 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -48.51 -50.71 30.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.06 -46.24 94.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HE1' ' A' ' 116' ' ' PHE . 1.4 mt -47.24 -46.5 24.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 96' ' ' LEU . 22.3 mt -48.36 -51.77 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -40.81 -66.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.5 t -44.73 -46.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.88 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -48.07 -30.69 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' VAL . 96.1 m -74.94 -43.53 53.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CE ' ' A' ' 102' ' ' LYS . . . -62.14 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.728 HG12 HD21 ' A' ' 107' ' ' LEU . 30.5 m -99.46 28.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 97.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.15 47.86 10.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 10.5 mttm -94.83 157.9 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ALA . 61.9 p -97.37 148.77 22.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -39.41 -56.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.66 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -54.01 4.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 140' ' ' ILE . 1.7 mt -47.29 -52.61 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.0 -29.17 70.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.04 -17.78 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -162.53 115.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.6 m -66.59 148.74 98.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -4.33 15.23 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 137' ' ' SER . 6.5 mt -75.75 -17.71 59.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.85 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -53.01 -56.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.627 ' HE1' HD23 ' A' ' 91' ' ' LEU . 30.1 m-85 -47.42 -48.41 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 123' ' ' ALA . 68.1 t0 -67.55 -48.33 67.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -51.81 56.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 115' ' ' LEU . 60.5 mt -75.49 -23.06 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.49 25.67 49.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.089 HD22 HD11 ' A' ' 37' ' ' LEU . 33.1 mt -85.52 10.15 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 133' ' ' LEU . 0.2 OUTLIER -153.93 -44.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 117' ' ' ASP . . . -44.16 -27.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -88.24 -38.95 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.592 HD22 ' HB3' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -45.81 130.74 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 151.35 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.04 -56.63 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.58 -66.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.592 ' HB3' HD22 ' A' ' 125' ' ' LEU . 2.4 mpt_? -52.1 -39.93 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -36.85 30.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.51 -31.63 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.59 -61.21 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -43.62 -43.5 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.3 -56.87 14.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.55 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 2.7 mt -48.81 -59.08 3.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 140' ' ' ILE . 7.7 t -52.2 -51.31 58.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -36.09 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -49.95 -37.49 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 107' ' ' LEU . 4.4 mt -73.86 -57.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 141' ' ' ILE . 6.0 mm -42.72 -42.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.75 92.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.75 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -66.58 -53.62 32.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.416 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 42.3 p -50.06 -34.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -63.33 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -48.8 21.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.23 -42.63 96.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -52.15 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.182 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.492 0.186 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p -105.42 -173.35 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.29 127.52 5.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.63 23.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.2 134.79 20.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -140.43 166.8 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 -50.68 16.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 118.16 -53.12 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 3.7 p80 51.01 91.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -74.98 -35.79 2.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 3.0 p90 -53.79 88.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 16' ' ' THR . . . 159.56 -65.1 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -88.4 -70.65 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -70.72 -35.88 72.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 15' ' ' VAL . 40.8 t -116.01 76.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -90.98 156.89 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -48.07 -25.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -83.73 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -44.4 -31.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 94' ' ' VAL . 6.4 mt -65.51 -51.94 56.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -67.7 -18.34 64.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 3.3 t30 -73.31 -30.96 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -85.04 -33.55 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.34 -24.26 25.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.815 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.45 -53.36 4.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 -40.85 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.49 87.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -82.12 -22.85 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 31' ' ' GLU . 2.5 mt-30 -78.86 104.81 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CH2' ' HB3' ' A' ' 123' ' ' ALA . 3.3 t90 -43.71 -31.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -51.86 -43.69 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' ARG . 34.5 m-20 -64.79 -55.39 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -56.1 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -27.01 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -74.72 -64.46 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -31.5 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 HD22 ' A' ' 121' ' ' LEU . 13.3 mt -58.09 -36.62 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' A' ' 86' ' ' ARG . 61.9 mt -67.31 -36.49 76.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.07 -30.0 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -74.82 -44.6 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -55.71 -38.33 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.91 -45.82 91.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.91 144.63 74.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 163.98 34.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.13 116.95 15.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 ' OD2' ' A' ' 82' ' ' ASP . 26.9 tp -70.3 114.52 26.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.06 156.89 42.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.94 -44.86 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 5.0 tp10 -49.29 -46.48 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.67 -37.73 62.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -56.31 -37.84 70.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.34 -19.51 61.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -84.84 -13.96 49.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -101.9 -173.18 2.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.03 150.96 38.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -84.77 120.86 26.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 2.9 mm -86.75 154.16 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.63 101.02 2.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.96 -25.11 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.0 OUTLIER -75.08 -176.48 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 18.5 tp10 -53.72 -20.06 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.529 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.6 m-80 -170.23 -174.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 17.9 ptp180 -65.63 118.23 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.0 t -116.46 139.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.43 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 28.2 m-90 -107.4 135.22 49.25 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.539 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 tt -144.9 141.87 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.62 140.26 9.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 143' ' ' ALA . 7.2 p90 -145.9 161.2 40.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 69' ' ' TYR . 7.1 p -156.65 177.0 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -126.29 139.19 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . . . -95.23 -170.02 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.39 -28.94 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' OD1' ' HB3' ' A' ' 72' ' ' ALA . 15.2 p30 -94.51 -24.08 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.457 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 112.44 -19.37 22.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.6 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.503 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -71.52 154.21 41.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -137.14 104.39 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.579 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 96' ' ' LEU . 64.5 m-85 -88.23 146.76 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -164.85 125.78 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -155.93 -148.06 4.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.579 ' OD2' HD23 ' A' ' 47' ' ' LEU . 51.8 p-10 -168.8 -168.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.784 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 92' ' ' LEU . 6.5 t -164.06 158.45 19.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' CD ' ' C ' ' A' ' 84' ' ' GLU . 1.2 pp20? -85.02 -21.19 29.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.79 118.16 5.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.717 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.82 -54.32 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.615 HG23 ' H ' ' A' ' 88' ' ' VAL . 6.2 tp -46.43 -61.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.615 ' H ' HG23 ' A' ' 87' ' ' ILE . 62.2 t -55.57 -42.82 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.8 ttt180 -52.52 -31.84 37.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.27 -47.22 7.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.711 HD13 ' HE ' ' A' ' 122' ' ' ARG . 18.9 mt -49.97 -45.83 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.6 mt -55.2 -52.37 63.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.03 -54.16 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.661 HG22 HD13 ' A' ' 20' ' ' LEU . 1.2 t -57.19 -39.03 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -65.36 -56.03 14.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -55.02 -28.78 54.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 1.5 m -69.98 -26.43 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -72.43 -35.6 68.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.822 HG12 HD22 ' A' ' 107' ' ' LEU . 19.6 m -99.55 31.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 1.1 tm-20 -55.59 95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.01 78.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.49 163.84 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -80.31 146.58 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.635 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.94 -56.98 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.03 -54.09 14.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -38.59 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.822 HD22 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -62.86 -41.78 99.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.502 HE21 HG23 ' A' ' 141' ' ' ILE . 62.4 mt-30 -71.59 -24.8 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.32 -26.96 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -115.21 113.36 23.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 114' ' ' ALA . 21.8 m -65.51 115.78 25.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.422 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.98 -16.9 20.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 133' ' ' LEU . 13.3 mt -84.38 -36.12 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -41.48 -36.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -56.47 -56.44 21.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLY . 16.7 m-85 -49.61 -48.96 48.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.08 -43.48 87.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -48.2 82.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 115' ' ' LEU . 21.1 mt -74.76 -31.14 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 79.12 40.78 15.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 37' ' ' LEU . 25.5 mt -85.68 -59.04 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.711 ' HE ' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -86.55 21.63 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.754 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . . . -62.52 -24.16 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -15.99 50.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -44.68 125.21 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.861 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -65.2 -177.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.6 t -84.42 -47.17 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -46.99 -29.49 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.401 ' CA ' HD13 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -63.29 -37.87 88.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.453 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 0.0 OUTLIER -59.41 -22.42 61.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -85.14 -28.54 30.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.828 HD22 HD22 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -64.74 -52.03 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 8.6 p30 -57.92 -34.93 70.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.472 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -59.25 -43.49 92.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.618 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.8 mt -62.38 -44.05 97.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.3 OUTLIER -64.2 -50.27 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.9 mm-40 -41.92 -37.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.15 71.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' HG23 ' A' ' 144' ' ' THR . 33.5 mt -75.0 -45.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 141' ' ' ILE . 3.6 mm -55.1 -44.77 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.49 79.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.23 -43.61 66.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 140' ' ' ILE . 69.5 p -64.83 -49.66 69.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -46.45 -35.17 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -56.55 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.6 t -51.77 -49.78 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.95 -56.4 18.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.507 0.194 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.1 m -105.26 157.77 17.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -89.49 142.4 29.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -170.96 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -146.54 -166.68 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.85 -179.17 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.782 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -123.17 174.86 6.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.96 -175.31 14.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 17.8 p80 -177.98 134.5 0.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' HIS . 18.2 Cg_endo -75.02 -15.44 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.822 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.7 m-30 -67.19 76.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.825 ' O ' HG23 ' A' ' 16' ' ' THR . . . 164.37 -60.04 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.5 m -90.3 -76.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -61.13 -44.63 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 15' ' ' VAL . 23.5 t -109.17 79.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -88.51 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -61.44 -29.79 70.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.4 tt0 -75.6 -60.56 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -46.05 -39.0 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 HG13 ' A' ' 15' ' ' VAL . 11.3 mt -65.16 -39.63 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -61.53 -19.58 62.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -79.77 -33.24 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -85.85 -21.96 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.41 -55.08 5.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 -42.11 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 48.3 mt -68.69 87.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -87.62 -23.65 24.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -79.79 123.65 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -49.96 -40.07 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.34 -45.99 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 82.3 m-20 -65.04 -55.88 16.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -43.52 -55.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.724 ' CD1' HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -60.23 -36.34 77.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -67.57 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -55.09 -34.18 63.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -53.13 -41.64 65.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 35' ' ' ARG . 7.1 mt -56.57 -40.8 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.62 -41.19 92.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -45.7 -42.05 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -69.33 -49.41 39.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -43.11 -39.99 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -57.7 -44.92 86.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.822 HD13 ' HE2' ' A' ' 11' ' ' PHE . 16.1 tp -51.94 136.48 37.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 149.83 37.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.49 102.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.94 112.83 4.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.42 -22.48 66.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -65.72 -52.32 52.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -73.33 -31.71 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HG2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -57.62 -33.57 68.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.49 -20.67 58.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -85.74 -17.41 35.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.03 179.91 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -118.21 150.94 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.74 134.48 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.1 mt -137.01 137.65 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.83 101.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 135' ' ' ALA . . . 169.95 40.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -134.53 -53.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER 167.72 -31.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.556 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-80 -147.22 173.9 12.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -41.9 150.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.9 t -145.22 138.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 11.2 m-90 -136.79 98.28 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -97.82 138.26 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -147.05 141.62 9.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 20.9 p90 -160.02 164.14 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -147.12 141.56 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 138.39 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.56 -177.32 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -64.86 -50.13 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -68.66 -26.26 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.29 -24.53 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.09 106.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.555 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -85.87 163.14 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -142.45 104.18 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 109.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 65.7 m-85 -85.08 155.3 21.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.799 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.3 p90 -166.53 163.87 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.53 ' O ' HD21 ' A' ' 92' ' ' LEU . . . 162.4 -160.15 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.931 ' OD1' HD22 ' A' ' 47' ' ' LEU . 18.5 p-10 -164.36 -173.75 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -169.73 159.88 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -38.34 37.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -59.58 123.28 32.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -59.23 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.724 HD13 ' CD1' ' A' ' 34' ' ' TYR . 4.4 tp -61.95 -50.23 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 58.2 t -52.24 -32.88 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.9 ttt-85 -63.79 -59.83 4.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.07 -36.21 91.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 116' ' ' PHE . 4.3 mt -58.25 -35.76 72.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 81' ' ' GLY . 2.9 tp -65.08 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.89 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 121' ' ' LEU . 2.6 t -41.02 -39.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.6 tt -60.63 -56.25 23.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' A' ' 80' ' ' PHE . 7.0 mp -53.09 -29.16 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 16' ' ' THR . 96.9 m -75.06 -30.35 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.12 69.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.896 HG12 HD22 ' A' ' 107' ' ' LEU . 30.2 m -94.7 31.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.3 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 49.67 76.87 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -144.74 156.81 44.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.4 p -83.26 146.42 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.848 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.31 -50.54 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.63 -67.47 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -48.07 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.896 HD22 HG12 ' A' ' 99' ' ' VAL . 43.3 mt -51.76 -44.98 63.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.07 -24.02 58.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -149.37 117.36 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.0 p -60.23 135.93 91.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -13.51 21.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 133' ' ' LEU . 17.8 mt -67.74 -32.1 72.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.89 -52.07 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -51.79 -61.48 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.595 ' CE1' HG12 ' A' ' 94' ' ' VAL . 79.0 m-85 -45.22 -49.07 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.28 -37.15 84.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -43.98 92.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 53.2 mt -74.68 -22.36 58.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.49 36.36 6.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 37' ' ' LEU . 32.8 mt -85.07 -55.92 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 133' ' ' LEU . 2.4 tmm_? -86.73 33.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.7 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.79 21.08 7.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.898 HD22 ' HB3' ' A' ' 129' ' ' ARG . 4.2 mt -44.9 110.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 65.8 m -39.7 149.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.89 -64.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -55.95 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.898 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -58.31 -48.46 80.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -50.64 -46.66 58.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -53.54 -23.61 11.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -70.88 -55.66 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -51.83 -45.22 63.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.12 -37.98 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 60' ' ' GLY . . . -58.04 -53.95 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 7.9 mt -62.98 -36.97 85.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.748 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.4 t -60.48 -57.32 13.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.58 -26.75 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.13 -49.66 75.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 1.011 ' O ' HG23 ' A' ' 144' ' ' THR . 76.9 mt -63.89 -44.65 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.7 mm -54.06 -59.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.93 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -69.45 -50.17 48.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 140' ' ' ILE . 35.7 p -59.27 -44.53 92.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.93 -36.02 26.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -75.03 -36.47 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 143' ' ' ALA . 48.6 t -72.05 -53.08 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -50.09 -52.39 35.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.541 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -126.27 157.98 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.382 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -109.23 137.93 20.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.8 6.8 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.25 122.31 12.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.49 174.76 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . . . -91.62 138.5 31.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.63 99.49 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 27.2 p-80 -92.27 114.35 61.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.63 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.38 20.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.057 ' CE2' HD13 ' A' ' 44' ' ' LEU . 3.0 m-30 -70.7 83.63 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.78 -54.59 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -101.34 -70.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.731 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -66.01 -49.91 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.714 HG13 HD21 ' A' ' 20' ' ' LEU . 36.1 t -98.2 102.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.569 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -114.68 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.998 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.07 -34.33 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.55 -61.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.5 m -47.59 -43.78 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD21 HG13 ' A' ' 15' ' ' VAL . 41.9 mt -64.96 -36.77 85.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -65.19 -32.37 74.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 8.7 m -83.97 -32.78 24.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 53.5 m-85 -86.58 -19.61 29.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.75 -54.42 3.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 mt -71.76 93.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -94.53 -20.46 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -88.55 131.06 35.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 124' ' ' GLN . 8.1 t90 -55.39 -46.07 76.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.985 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -39.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.65 -52.39 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 mttt -48.84 -56.51 8.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.725 ' CE1' HD13 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -58.0 -28.09 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.66 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -26.82 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 121' ' ' LEU . 10.9 mt -61.87 -35.56 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.452 HD13 HD12 ' A' ' 87' ' ' ILE . 10.6 mm -63.32 -36.09 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.9 mtt -67.56 -44.04 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -43.09 -49.93 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -59.6 -60.29 9.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' GLY . 13.8 mttm -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.9 -47.56 52.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.057 HD13 ' CE2' ' A' ' 11' ' ' PHE . 7.9 tp -54.21 136.89 59.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.95 157.16 43.16 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.44 106.42 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.636 HD13 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -54.78 108.67 1.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -65.55 -26.22 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.3 tp10 -62.51 -51.38 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -74.22 -32.21 62.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG2' ' CD1' ' A' ' 66' ' ' TRP . 2.2 mtmt -60.11 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.67 -23.68 56.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.6 mp0 -92.98 15.0 15.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.43 175.3 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 3.0 mtmm -109.21 149.12 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -81.62 128.99 34.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.91 101.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.56 38.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.14 -4.49 27.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.482 ' HB2' HG21 ' A' ' 65' ' ' VAL . 1.2 m -97.6 -178.93 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.64 ' HB2' HG21 ' A' ' 88' ' ' VAL . 3.6 mm-40 -46.34 -32.69 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.87 -165.86 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -54.02 151.64 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 61' ' ' CYS . 70.6 t -152.8 125.52 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 19.8 m-90 -118.47 98.6 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.6 137.66 43.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.2 142.39 11.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.471 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 7.8 p90 -150.97 174.3 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.427 HG23 ' C ' ' A' ' 69' ' ' TYR . 17.2 p -154.15 150.15 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 72' ' ' ALA . 47.7 t -107.44 163.33 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.455 ' N ' HG12 ' A' ' 71' ' ' VAL . . . -143.14 178.35 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.42 -52.21 48.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.43 -24.17 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -20.9 46.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.24 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.607 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -80.2 158.85 26.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -139.77 104.23 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.607 ' CZ ' ' SD ' ' A' ' 77' ' ' MET . 77.2 m-85 -84.75 151.04 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 26.8 p90 -165.59 118.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 66' ' ' TRP . . . -156.01 -160.42 9.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.636 ' OD1' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -164.2 -175.07 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 t -164.83 158.68 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.72 -45.54 24.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -46.44 163.89 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -88.84 -56.3 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.725 HD13 ' CE1' ' A' ' 34' ' ' TYR . 1.9 tp -70.51 -51.09 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 62' ' ' GLU . 97.2 t -46.95 -36.77 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -58.19 -58.28 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -60.79 -47.4 91.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.741 HD23 ' CE2' ' A' ' 116' ' ' PHE . 0.8 OUTLIER -47.4 -45.39 25.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -54.36 -38.35 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -58.79 -65.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.555 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -39.15 -41.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -59.44 -55.76 30.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.1 mp -54.6 -29.29 51.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -72.54 -29.07 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.8 -37.13 65.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.791 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -96.49 32.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.48 96.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 44.26 78.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -144.6 163.48 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -85.66 146.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -43.57 -50.15 7.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.53 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -51.45 54.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.791 HD22 HG12 ' A' ' 99' ' ' VAL . 4.4 mt -49.32 -42.29 41.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 141' ' ' ILE . 4.8 mt-30 -72.44 -27.86 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.0 49.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.14 110.43 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -65.81 135.97 95.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.4 mt -75.31 -24.23 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.26 -53.5 55.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.36 -61.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 91' ' ' LEU . 95.0 m-85 -46.22 -55.92 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.24 -34.5 70.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -52.4 62.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 24' ' ' PHE . 77.4 mt -72.39 -28.7 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.98 42.9 7.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 94' ' ' VAL . 14.9 mt -84.67 -57.03 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 125' ' ' LEU . 0.5 OUTLIER -86.8 29.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -20.86 42.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . 1.7 tp60 -98.67 28.82 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 122' ' ' ARG . 5.9 mt -47.98 175.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.417 ' N ' ' HB2' ' A' ' 129' ' ' ARG . 0.1 OUTLIER -164.78 163.1 21.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.954 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.5 -60.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -47.67 61.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 126' ' ' SER . 2.0 mtt-85 -46.71 -53.35 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.33 -53.54 17.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.84 -44.48 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.37 -51.88 51.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 133' ' ' LEU . 0.3 OUTLIER -63.5 -43.52 96.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.19 -44.8 79.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 138' ' ' GLU . . . -51.8 -43.04 62.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.502 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 11.1 mt -68.9 -38.69 79.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 t -66.27 -59.79 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.2 pt-20 -49.7 -29.82 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -57.9 -44.45 86.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 1.019 ' O ' HG23 ' A' ' 144' ' ' THR . 38.5 mt -74.69 -35.02 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 108' ' ' GLN . 24.6 mm -63.64 -48.45 86.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.4 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.61 -50.86 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 140' ' ' ILE . 80.5 p -56.72 -43.8 80.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -47.62 -33.13 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -57.85 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 71' ' ' VAL . 66.7 t -54.74 -54.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.428 HD12 ' NE2' ' A' ' 108' ' ' GLN . 3.1 mt -46.16 -53.66 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.2 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.504 0.192 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -168.78 159.31 9.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -114.95 106.4 51.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 82.22 2.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -134.09 106.24 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -162.37 175.18 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.42 133.26 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.78 -82.67 1.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.618 ' CE1' HD11 ' A' ' 44' ' ' LEU . 57.6 m-70 66.33 119.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.584 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.01 -10.42 21.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 18.2 m-30 -72.06 95.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 97' ' ' THR . . . 125.77 -31.71 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -89.85 -76.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -38.97 72.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 10' ' ' PRO . 29.3 m -110.67 119.29 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.61 170.01 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.977 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.92 -26.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 1.9 tt0 -76.88 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -57.18 -36.38 70.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.912 ' CD1' HG21 ' A' ' 97' ' ' THR . 0.5 OUTLIER -61.05 -56.94 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 10.7 ptp180 -62.14 -17.83 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -32.41 67.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -85.21 -34.63 21.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m-85 -84.8 -27.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.62 -54.95 2.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.98 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt -64.33 86.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -81.52 -25.05 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' ASP . 4.6 mt-30 -75.57 110.22 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -46.17 -31.87 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.1 70.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLN . 33.7 m-20 -66.17 -57.16 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 6.6 mttt -44.89 -60.04 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.738 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -57.28 -21.86 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.63 -67.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -29.59 56.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 121' ' ' LEU . 9.6 mt -51.26 -51.42 54.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.3 mp -49.41 -39.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -26.73 60.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -24.47 64.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 -45.77 6.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -47.27 -46.93 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.03 -47.78 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD11 ' CE1' ' A' ' 9' ' ' HIS . 20.5 tp -54.28 138.5 57.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.99 156.09 42.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.25 100.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -64.85 114.01 13.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.02 146.02 32.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.33 -33.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.2 tp10 -54.99 -46.31 75.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -72.93 -42.1 63.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -53.29 -36.68 61.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.42 -22.81 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.25 -19.19 47.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.755 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.49 -178.15 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -99.83 144.36 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 7.2 tp10 -82.59 126.09 31.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' VAL . 5.0 mt -124.02 137.95 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 41.99 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.76 44.95 1.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -150.47 -178.12 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -38.93 -39.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 65' ' ' VAL . 19.0 m-20 -157.46 179.72 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.14 147.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.1 t -144.6 148.96 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.548 ' CE2' ' OE1' ' A' ' 57' ' ' GLU . 9.2 m-90 -143.22 136.3 27.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.755 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -148.96 138.02 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.17 138.19 7.56 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.835 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 41.1 p90 -153.54 171.71 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 69' ' ' TYR . 3.1 p -158.09 140.39 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.699 HG22 ' CG ' ' A' ' 77' ' ' MET . 4.7 t -90.16 127.29 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.22 -170.25 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.82 -49.99 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -66.37 -30.95 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 119.78 -26.55 7.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 104.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.699 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.6 mtp -83.3 154.66 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -134.58 109.43 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.613 ' CD1' HG21 ' A' ' 99' ' ' VAL . 51.2 m-85 -92.99 148.59 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.68 112.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -143.62 -153.37 5.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 5.1 p-10 -166.14 -176.6 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.1 t -171.32 163.54 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.05 -41.93 12.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.26 112.67 5.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -41.51 26.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -67.54 -39.76 83.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.1 t -67.06 -54.5 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HA ' HD12 ' A' ' 92' ' ' LEU . 9.1 ttt180 -47.17 -42.54 19.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.57 -45.53 45.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 116' ' ' PHE . 6.8 mt -50.19 -49.72 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.4 mt -46.67 -47.17 20.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -41.93 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 121' ' ' LEU . 2.5 t -45.84 -48.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 95' ' ' LEU . 9.3 tt -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 99' ' ' VAL . 2.4 mp -52.4 -28.71 20.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.912 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.0 m -75.75 -38.01 58.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -66.68 -31.21 71.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 107' ' ' LEU . 5.3 m -94.41 33.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.19 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.27 45.84 21.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -94.39 168.46 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 154.03 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.641 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -46.42 -52.31 13.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.9 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.6 -46.35 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.002 HD21 HG12 ' A' ' 99' ' ' VAL . 8.9 mt -53.8 -53.17 56.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.476 ' OE1' HD12 ' A' ' 148' ' ' LEU . 46.5 mt-30 -62.98 -26.89 69.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.28 45.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -151.49 111.64 4.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.5 m -71.88 150.38 92.88 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.74 12.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.37 -25.66 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -61.29 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.977 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -40.89 -58.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.64 ' CE2' HG12 ' A' ' 94' ' ' VAL . 88.8 m-85 -48.91 -58.24 5.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.29 -41.9 76.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.16 81.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 73.5 mt -75.41 -13.95 60.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.31 16.24 64.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 94' ' ' VAL . 52.9 mt -82.88 -2.37 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 0.6 OUTLIER -154.12 30.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.24 -61.34 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.26 24.59 10.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.555 HD13 HD13 ' A' ' 133' ' ' LEU . 2.5 mt -44.37 124.6 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -39.57 142.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.33 -56.17 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -46.64 -42.76 16.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.526 ' CB ' HD22 ' A' ' 125' ' ' LEU . 2.1 mpt_? -74.59 -41.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -55.21 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.37 -22.84 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.16 -57.52 3.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.567 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -49.04 -32.26 9.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.64 -58.57 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.22 -56.31 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 65' ' ' VAL . 2.5 mt -47.38 -53.9 12.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.0 t -59.13 -51.46 69.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.48 -36.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.42 -41.37 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 137' ' ' SER . 15.2 mt -75.44 -38.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 20.8 mm -55.04 -50.54 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.01 82.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.835 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.12 -60.13 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 104' ' ' ALA . 20.1 p -51.34 -43.55 61.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -49.35 -36.63 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -45.3 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.92 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.476 HD12 ' OE1' ' A' ' 108' ' ' GLN . 3.1 mt -42.5 -49.72 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.499 0.19 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m 58.81 104.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -171.82 123.06 0.5 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.57 38.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -147.25 128.11 14.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -157.2 178.59 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.39 -32.84 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 9' ' ' HIS . . . 104.43 -40.35 2.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.553 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 5.7 p80 50.49 85.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.562 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 6.6 p90 -54.8 120.9 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.666 ' O ' HG23 ' A' ' 16' ' ' THR . . . 122.59 -49.43 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -108.08 -76.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 -30.26 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 15' ' ' VAL . 5.8 t -122.66 72.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -89.66 155.58 19.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.736 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -45.89 -31.44 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' ASN . 1.1 tt0 -72.46 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.0 m -43.14 -39.08 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 40' ' ' LEU . 5.9 mt -65.43 -49.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.528 ' CB ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -70.34 -19.15 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 t-20 -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -84.05 -33.17 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 121' ' ' LEU . 18.9 m-85 -86.05 -21.22 27.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.97 -55.22 3.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 31.8 mt -62.33 91.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 m -89.9 -20.91 22.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.73 123.03 29.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.71 -36.6 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -34.43 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 78.7 m-20 -76.75 -55.76 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 3.8 mtmt -50.01 -62.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.435 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.86 -33.67 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -61.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -18.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.832 HD21 HD13 ' A' ' 121' ' ' LEU . 10.8 mt -63.2 -49.23 75.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.0 mt -52.95 -32.38 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.94 -39.08 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -46.64 -28.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.13 -39.15 9.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -53.05 -41.73 65.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.8 -50.94 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' LEU . 5.6 tp -53.97 140.0 52.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.0 159.21 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 115.25 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 51' ' ' LEU . 11.6 tp -74.51 114.05 30.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.6 t0 -63.17 -52.56 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -43.72 -40.91 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -73.93 -38.72 64.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 3.5 mtmp? -54.36 -35.45 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.74 -20.55 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 5.49 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -134.19 -178.79 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 9.1 mtmm -104.69 136.79 43.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 57' ' ' GLU . 3.8 tp10 -79.54 125.6 29.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 65' ' ' VAL . 2.8 mt -117.29 136.98 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -146.41 106.44 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.77 -35.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLU . 1.1 m -74.34 -169.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' CYS . 2.3 mm-40 -37.23 -48.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 m120 -150.81 166.75 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -44.18 151.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 83' ' ' SER . 9.5 t -145.09 165.59 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 52' ' ' LYS . 27.5 m-90 -141.44 141.95 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 107.961 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.496 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -148.7 132.43 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -141.31 141.62 11.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 70' ' ' THR . 27.6 p90 -155.14 172.59 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 69' ' ' TYR . 8.9 p -158.54 139.24 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.41 133.03 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 76' ' ' LYS . . . -78.13 -178.24 5.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.11 -34.45 78.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -91.6 -26.44 18.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.77 -28.67 3.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -44.98 102.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 mtm -83.49 163.05 20.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 1.7 m-70 -139.72 104.72 4.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 99' ' ' VAL . 75.5 m-85 -85.12 153.72 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 29.3 p90 -164.95 119.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.51 175.32 31.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' GLY . 1.9 m-20 -167.45 122.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -85.96 171.44 11.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -30.76 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.26 171.93 52.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -54.76 4.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 91' ' ' LEU . 4.9 mm -53.3 -58.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.88 -34.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -57.01 -58.03 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -63.01 -42.71 99.59 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 116' ' ' PHE . 5.1 mt -47.33 -41.35 19.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.51 -48.0 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.783 ' HB3' HD12 ' A' ' 40' ' ' LEU . . . -39.5 -59.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 121' ' ' LEU . 2.7 t -48.55 -43.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 140' ' ' ILE . 10.2 tt -63.49 -56.53 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.569 ' CD1' HD21 ' A' ' 92' ' ' LEU . 19.0 mt -49.36 -32.56 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.554 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 21.4 m -75.36 -28.9 59.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -70.75 -23.94 62.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 107' ' ' LEU . 16.6 m -103.61 29.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -55.14 102.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.55 42.51 0.67 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.17 161.14 14.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.2 p -96.88 147.81 23.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -40.03 -56.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.39 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -45.61 -51.79 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 99' ' ' VAL . 40.3 mt -48.2 -56.7 7.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.67 -21.18 62.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -80.41 -26.81 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.62 114.83 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 90.4 p -65.03 136.94 96.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.02 -11.34 21.43 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 137' ' ' SER . 5.3 mt -76.39 -19.17 58.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -57.16 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.736 HD21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.87 -59.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 120' ' ' GLY . 86.6 m-85 -45.42 -55.0 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.16 -49.03 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -48.21 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.734 HD11 HD23 ' A' ' 115' ' ' LEU . 16.7 mt -75.15 -28.52 60.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' A' ' 123' ' ' ALA . . . 83.86 29.35 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.915 HD11 ' CE2' ' A' ' 24' ' ' PHE . 80.0 mt -84.79 -13.54 50.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.457 ' CD ' ' HG ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -154.7 23.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.444 ' HB2' ' HA2' ' A' ' 120' ' ' GLY . . . -55.06 -19.87 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -98.26 22.64 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 133' ' ' LEU . 2.4 mt -44.49 110.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.22 173.49 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -44.62 84.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -31.95 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 t -60.37 -48.73 80.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.32 -31.86 46.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -68.91 -60.48 5.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.6 HD13 HD11 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -57.49 -39.8 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -64.93 -34.77 79.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 19.5 mt -76.48 -45.18 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.72 ' HB2' HD21 ' A' ' 113' ' ' LEU . 6.9 t -65.44 -51.59 59.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 pt-20 -52.22 -30.84 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.19 -39.09 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.83 ' CG2' HD13 ' A' ' 107' ' ' LEU . 14.4 mt -75.23 -40.19 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.36 -53.28 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.48 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.564 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -58.35 -59.3 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 140' ' ' ILE . 44.1 p -55.62 -46.7 77.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.9 -33.95 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.51 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.73 -52.63 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.4 mt -47.66 -58.03 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m -87.75 144.42 26.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -142.08 123.14 8.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.67 26.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.95 -166.76 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -161.04 162.6 31.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.26 75.01 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.06 119.07 1.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 7.1 p80 -94.18 111.58 53.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 8.0 p90 -54.87 121.2 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.36 -42.28 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.6 m -75.43 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -115.36 -33.9 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 40' ' ' LEU . 54.1 t -99.37 71.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -80.15 158.53 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.813 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -51.72 -26.06 8.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.5 tp10 -80.06 -59.2 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 m -45.8 -35.08 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.89 -39.64 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -68.72 -25.37 64.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -70.53 -33.04 70.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -80.46 -33.88 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.797 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.0 m-85 -85.17 -27.56 26.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.4 -54.83 4.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 50.5 mt -70.04 99.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 26' ' ' PRO . 42.8 p -97.86 -18.23 18.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.428 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.68 120.88 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 7.6 t90 -45.4 -50.06 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.958 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -38.16 -37.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 67.6 m-20 -70.87 -57.07 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.52 5.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE1' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -56.06 -30.05 61.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.71 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.916 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -56.49 -36.86 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.908 HD11 HD22 ' A' ' 121' ' ' LEU . 23.8 mt -49.53 -35.97 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 86' ' ' ARG . 31.4 mt -66.58 -41.87 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttp -61.16 -41.52 96.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -42.97 -48.45 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.55 -47.8 89.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -51.4 -41.87 61.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.48 -41.08 84.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HD21 ' A' ' 92' ' ' LEU . 8.1 mp -58.65 142.44 83.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.45 35.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.43 97.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.955 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.09 119.27 47.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.76 36.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.13 -27.11 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 tp10 -62.51 -45.27 93.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -28.55 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -60.03 -35.45 75.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.7 -14.24 60.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -87.17 -20.51 26.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.847 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -103.99 -170.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -108.89 152.14 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 133.88 34.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.9 mt -134.91 147.46 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.58 68.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -142.63 12.84 2.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.61 -50.64 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 178.08 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.67 ' O ' HG23 ' A' ' 65' ' ' VAL . 9.1 m-20 -147.43 -177.21 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -45.27 136.83 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 63' ' ' ASN . 68.8 t -138.16 123.26 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 13.3 m-90 -115.53 134.22 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.847 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -149.22 133.28 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.49 139.64 10.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -148.27 164.1 35.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' MET . 40.3 p -146.4 157.71 43.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 77' ' ' MET . 13.6 t -116.18 162.6 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.61 -177.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.67 -53.31 40.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -65.97 -18.26 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 86.3 -16.36 44.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -50.07 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -75.32 159.78 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.88 104.59 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 96' ' ' LEU . 80.5 m-85 -84.22 145.86 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -165.18 125.51 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -162.62 -155.5 8.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.955 ' OD1' HD22 ' A' ' 47' ' ' LEU . 5.9 p-10 -166.05 -175.81 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.79 160.84 20.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -44.89 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.68 124.71 33.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.545 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.1 mtm180 -53.91 -59.2 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.485 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.01 -42.86 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.38 -47.32 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.671 ' O ' HD23 ' A' ' 92' ' ' LEU . 8.4 ttm180 -57.04 -60.1 4.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -48.69 -41.11 26.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.116 HD22 HD11 ' A' ' 133' ' ' LEU . 1.8 mt -56.58 -52.27 65.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.9 -42.41 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -50.16 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 121' ' ' LEU . 4.5 t -39.34 -48.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.987 HD21 ' CD1' ' A' ' 140' ' ' ILE . 9.5 tt -52.3 -51.78 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -61.19 -27.87 68.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 53.9 m -75.06 -27.22 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -34.42 61.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.975 HG12 HD22 ' A' ' 107' ' ' LEU . 27.4 m -101.86 32.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.95 94.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 45.47 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -144.41 168.08 20.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.1 p -88.18 147.54 24.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.725 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -45.73 -55.43 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.98 -54.76 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -51.86 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.975 HD22 HG12 ' A' ' 99' ' ' VAL . 21.6 mt -49.75 -49.51 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.18 -30.0 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.22 -18.08 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -144.8 104.39 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -64.58 145.03 98.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -22.93 14.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.2 mt -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -46.28 -52.25 12.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.24 -59.87 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.627 ' CE1' HD23 ' A' ' 91' ' ' LEU . 78.9 m-85 -47.47 -49.98 24.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -63.72 -43.98 94.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.52 84.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.797 HD22 ' HD2' ' A' ' 24' ' ' PHE . 88.2 mt -74.99 -27.85 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.93 31.07 7.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 37' ' ' LEU . 15.0 mt -86.25 -53.99 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -79.74 -51.13 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -42.75 -45.27 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -74.61 -50.99 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.461 ' CD2' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER -44.66 143.54 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.1 m -60.65 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.97 -49.76 9.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.17 -64.2 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.461 ' HD3' ' CD2' ' A' ' 125' ' ' LEU . 37.2 mtp85 -54.62 -44.77 73.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -37.35 12.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -48.43 -27.58 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -70.41 -58.47 5.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 1.116 HD11 HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -48.04 -44.55 31.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -38.21 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -63.82 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.524 HD21 HG11 ' A' ' 65' ' ' VAL . 54.5 mt -40.57 -37.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.804 ' HB2' HD21 ' A' ' 113' ' ' LEU . 42.4 t -65.79 -69.72 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 5.7 pt-20 -45.03 -30.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.987 ' CD1' HD21 ' A' ' 95' ' ' LEU . 23.3 mt -75.23 -36.17 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.33 -47.5 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.23 97.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 147' ' ' VAL . . . -61.41 -49.57 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.725 HG22 ' CB ' ' A' ' 104' ' ' ALA . 4.2 p -59.07 -53.77 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -32.34 45.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -37.85 74.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 143' ' ' ALA . 92.8 t -75.07 -50.37 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.8 -52.94 28.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.494 0.188 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.0 m -95.47 128.12 42.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -86.55 127.26 61.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.99 -167.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -149.28 121.1 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.945 ' HB1' ' NE2' ' A' ' 9' ' ' HIS . . . 172.72 72.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -54.33 7.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.945 ' NE2' ' HB1' ' A' ' 7' ' ' ALA . 60.4 m170 67.82 90.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 109.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.2 Cg_endo -75.05 -37.36 2.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.707 ' CE2' HD13 ' A' ' 96' ' ' LEU . 8.0 p90 -54.4 112.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.53 -38.49 1.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 14' ' ' THR . 1.2 m -120.9 -79.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.349 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 13' ' ' THR . 2.9 m -63.06 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 10' ' ' PRO . 50.9 t -123.3 117.0 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -147.52 176.58 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.442 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 2.2 tt0 -84.52 -56.35 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -60.91 -37.47 82.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD13 HG22 ' A' ' 94' ' ' VAL . 21.0 mt -66.71 -57.52 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 13.0 ptt180 -63.43 -18.8 64.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.57 -32.35 71.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HD12 ' A' ' 27' ' ' LEU . 12.6 m -84.43 -32.46 24.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 23.1 m-85 -84.12 -30.79 25.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.47 -55.58 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 -48.57 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 23' ' ' THR . 16.7 mt -62.6 91.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -81.74 -23.46 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.89 123.16 27.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -55.12 -36.42 65.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -37.71 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CG ' HD22 ' A' ' 27' ' ' LEU . 72.6 m-20 -71.17 -56.93 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -50.29 -49.07 54.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -58.64 3.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' MET . 48.5 tp60 -59.08 -41.89 89.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -42.87 -41.04 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.618 HG23 ' HB3' ' A' ' 86' ' ' ARG . 11.8 mt -59.59 -46.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -57.13 -37.86 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -49.0 -29.99 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.78 -33.17 31.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.43 -53.24 57.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -47.55 -46.87 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 17.2 tp -54.78 137.38 64.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 151.34 39.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.31 99.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.5 119.86 39.82 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -65.19 -48.35 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 10.0 pt-20 -45.6 -43.22 12.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -73.76 -37.67 64.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.22 -33.27 40.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.22 57.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.6 mp0 -78.28 -19.96 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.68 -165.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -117.12 152.02 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.3 131.45 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.3 mt -129.09 148.43 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB2' HH21 ' A' ' 64' ' ' ARG . . . -146.49 174.96 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.39 -17.39 55.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 m -90.84 -176.47 4.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -40.24 -52.75 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m120 -150.05 -177.09 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.22 145.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 63' ' ' ASN . 75.9 t -141.51 125.73 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 64' ' ' ARG . 19.7 m-90 -116.77 134.14 55.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -147.7 138.32 23.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 80' ' ' PHE . . . -142.75 156.53 26.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.508 ' O ' HG23 ' A' ' 70' ' ' THR . 27.8 p90 -167.34 169.24 12.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' TYR . 13.1 p -155.82 157.02 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.795 HG13 ' O ' ' A' ' 75' ' ' GLY . 2.9 t -105.86 144.82 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.04 177.29 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -19.21 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.83 -32.89 15.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.795 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 128.15 -26.67 4.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.0 mttt -44.55 157.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 71' ' ' VAL . 75.2 mtp -148.85 140.99 23.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.49 103.83 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.633 ' O ' HD22 ' A' ' 96' ' ' LEU . 65.1 m-85 -76.25 149.47 37.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 68' ' ' GLY . 44.9 p90 -159.16 169.41 24.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 157.68 -149.04 19.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.893 ' OD1' HD22 ' A' ' 47' ' ' LEU . 6.2 p-10 -172.09 -175.72 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -163.07 157.85 21.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.08 -35.22 32.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.17 156.48 50.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -81.04 -58.79 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -59.92 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 91' ' ' LEU . 82.2 t -60.66 -64.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -41.41 -32.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.83 -51.01 6.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 88' ' ' VAL . 19.6 mt -46.85 -30.13 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.79 -50.54 65.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -46.29 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.683 HG12 ' CE2' ' A' ' 116' ' ' PHE . 6.8 t -44.45 -46.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 140' ' ' ILE . 8.1 tt -58.03 -49.35 77.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.707 HD13 ' CE2' ' A' ' 11' ' ' PHE . 45.6 mt -64.38 -28.33 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -75.63 -28.84 58.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 112' ' ' PRO . . . -75.19 -17.43 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.98 HG12 ' CD2' ' A' ' 107' ' ' LEU . 32.8 m -114.05 31.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.64 94.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.82 77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -144.67 157.92 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 p -84.72 160.51 20.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -54.7 -44.31 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.62 -54.33 46.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -35.7 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.98 ' CD2' HG12 ' A' ' 99' ' ' VAL . 12.0 mt -64.09 -52.78 57.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.94 -22.46 62.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.19 -19.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 107' ' ' LEU . 22.2 tt0 -142.82 108.89 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 p -62.62 130.44 93.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.97 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 137' ' ' SER . 10.8 mt -64.91 -20.95 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASP . . . -52.44 -61.07 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.94 -59.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.683 ' CE2' HG12 ' A' ' 94' ' ' VAL . 86.7 m-85 -47.94 -37.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -73.69 -49.45 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -57.13 -42.84 81.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 21' ' ' ARG . 15.1 mt -74.25 -31.46 62.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.11 39.98 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 94' ' ' VAL . 18.8 mt -85.37 -50.75 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.709 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -86.56 30.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 -65.27 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.51 22.32 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 122' ' ' ARG . 1.9 mt -44.83 120.9 2.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -38.77 149.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.01 -55.01 23.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 m -42.51 -54.44 3.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.57 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -63.42 -46.01 88.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.4 t -47.16 -54.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -35.81 43.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.46 -56.5 17.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.47 HD13 ' HG3' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -43.52 -47.61 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.49 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.2 m-20 -57.32 -61.05 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.73 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -52.93 -56.79 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.787 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.4 t -65.08 -47.76 76.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 2.0 mm-40 -47.73 -35.3 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.22 -44.19 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.944 ' O ' HG23 ' A' ' 144' ' ' THR . 15.1 mt -74.71 -40.29 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.9 mm -54.42 -47.72 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.25 86.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.15 -55.02 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 140' ' ' ILE . 47.4 p -54.43 -44.32 72.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -47.39 -33.64 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -49.97 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.71 -40.3 86.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.09 -27.74 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.512 0.196 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 3' ' ' ASN . 9.7 t -60.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.493 ' N ' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -176.24 99.05 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -38.09 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.615 ' O ' HD11 ' A' ' 51' ' ' LEU . 7.1 tt0 -146.52 105.35 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -57.46 155.14 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.744 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . . . -114.93 135.02 54.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.41 -47.95 4.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.744 ' NE2' ' HB3' ' A' ' 7' ' ' ALA . 62.0 m170 65.63 68.5 0.68 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.28 11.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 96' ' ' LEU . 18.9 p90 -69.21 125.53 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -32.55 4.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 m -81.92 -80.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.4 m -103.78 -5.38 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -133.54 70.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.662 ' O ' HD12 ' A' ' 20' ' ' LEU . 10.1 t -100.29 -167.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.99 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -65.79 -44.25 86.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.7 tt0 -63.31 -61.51 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 m -53.45 -36.24 61.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 16' ' ' THR . 13.6 mt -63.89 -57.71 8.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.882 ' HB3' HD21 ' A' ' 119' ' ' LEU . 5.2 ptm180 -64.87 -25.17 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 20.1 m -77.66 -25.01 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 27' ' ' LEU . 13.6 m-85 -86.6 -24.61 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -40.2 -51.86 5.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.92 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' A' ' 24' ' ' PHE . 90.8 mt -45.98 94.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.7 m -85.5 -23.66 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.412 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -84.96 110.89 19.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ASP . 6.0 t90 -45.18 -46.4 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 107.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -42.12 -27.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' TRP . 42.6 m-20 -64.99 -57.59 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -46.57 -52.18 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 124' ' ' GLN . 0.1 OUTLIER -65.54 -29.8 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -61.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 39' ' ' MET . 25.0 tt0 -54.32 -35.87 63.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.948 HD11 HD22 ' A' ' 121' ' ' LEU . 16.2 mt -55.39 -31.12 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.45 -62.46 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 1.1 ptt? -46.21 -30.78 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -42.14 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.93 93.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -48.32 -51.8 24.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -56.01 -50.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' HD2' ' A' ' 45' ' ' PRO . 20.7 tp -54.28 138.62 57.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 148.65 35.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 104.12 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.66 114.78 9.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.6 42.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.05 -25.92 9.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.6 mm-40 -64.69 -45.92 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.04 -39.12 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 11.2 mtmt -53.78 -33.02 54.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.47 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -83.11 -16.88 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.98 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mtmm -115.84 150.89 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.25 133.41 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.16 113.99 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.4 60.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.26 35.9 1.52 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.53 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -140.53 -179.06 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -41.59 -37.19 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.615 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.92 -174.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -41.95 148.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.749 HG11 HD21 ' A' ' 136' ' ' LEU . 77.2 t -144.36 144.42 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.9 m-90 -135.84 136.45 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -154.13 137.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.26 141.2 10.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 78' ' ' HIS . 15.4 p90 -146.49 157.88 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 77' ' ' MET . 6.6 p -140.87 142.39 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG22 ' CG ' ' A' ' 77' ' ' MET . 3.2 t -105.65 162.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.67 -179.18 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.82 -53.07 20.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.82 -22.63 66.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 77' ' ' MET . . . 92.1 -17.63 56.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.511 ' CG ' HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -77.73 157.95 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 37.1 m170 -137.73 104.34 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE1' ' HB ' ' A' ' 99' ' ' VAL . 76.9 m-85 -84.51 147.32 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 34.7 p90 -165.21 117.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.764 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -153.43 -149.49 5.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.919 ' OD1' HD22 ' A' ' 47' ' ' LEU . 3.9 p-10 -174.98 -176.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -167.16 168.67 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -47.38 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.45 136.65 21.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -59.16 5.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 87' ' ' ILE . 4.2 tp -61.19 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 75.6 t -52.41 -41.98 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -50.9 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.99 10.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' CE2' ' A' ' 116' ' ' PHE . 9.5 mt -46.73 -33.88 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 -54.35 33.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . -49.13 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 121' ' ' LEU . 1.1 t -40.77 -42.35 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 140' ' ' ILE . 6.6 tt -59.24 -61.38 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.7 mp -46.7 -29.97 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -74.79 -38.21 62.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -66.88 -16.22 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.054 HG12 HD21 ' A' ' 107' ' ' LEU . 16.2 m -112.12 31.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' GLY . 37.3 tt0 -55.53 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 37.26 45.89 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 160.55 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.5 p -96.97 146.63 24.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -41.16 -57.59 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.85 -61.64 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -45.83 -50.14 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.054 HD21 HG12 ' A' ' 99' ' ' VAL . 29.9 mt -51.4 -55.25 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -60.5 -24.68 65.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.32 -28.9 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -136.35 113.63 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.1 p -68.17 144.39 96.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.98 12.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 133' ' ' LEU . 15.2 mt -61.14 -22.07 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.57 74.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.99 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -52.55 -52.6 54.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' GLY . 74.4 m-85 -50.8 -52.98 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.4 -34.6 75.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.83 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 21' ' ' ARG . 79.2 mt -75.56 -21.93 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.86 43.22 6.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.948 HD22 HD11 ' A' ' 37' ' ' LEU . 13.8 mt -85.55 -37.11 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -67.65 -25.73 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.03 -11.73 42.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 39.1 mt-30 -92.5 -57.07 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 136.59 54.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.0 m -64.91 -174.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.62 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -47.54 50.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.5 t -49.21 -37.29 22.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.447 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 1.5 tt0 -55.82 -20.8 16.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -87.44 -28.36 24.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -65.12 -48.27 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.779 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 135' ' ' ALA . 9.4 p30 -60.98 -31.78 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -65.55 -37.92 88.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.749 HD21 HG11 ' A' ' 65' ' ' VAL . 6.8 mt -75.73 -37.57 59.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -65.11 -54.37 30.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 139' ' ' ALA . 8.1 pt-20 -48.97 -32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.4 -41.67 69.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 95' ' ' LEU . 27.5 mt -74.97 -43.4 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.5 mm -51.46 -50.32 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.85 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.734 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 38.6 p -58.06 -42.7 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -35.91 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -38.98 61.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.79 -55.22 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mt -48.3 -50.81 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.535 0.207 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -175.06 145.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 172.79 113.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.06 42.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.62 132.21 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -172.34 171.98 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.91 92.0 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 98.6 0.26 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -87.92 116.92 67.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -23.2 13.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 3.0 m-30 -73.94 82.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 16' ' ' THR . . . 158.49 -47.75 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.04 -68.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -79.37 -42.47 25.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 15' ' ' VAL . 19.5 t -104.05 73.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -82.46 173.19 12.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.886 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -62.2 -33.94 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.1 tp10 -73.61 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -44.88 -38.48 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 97' ' ' THR . 5.6 mt -64.31 -42.54 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -62.46 -18.86 62.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -37.07 65.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.9 m -76.57 -35.3 58.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 14.3 m-85 -86.35 -23.89 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.95 -52.88 5.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.34 89.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' PRO . 6.2 t -86.83 1.63 51.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -105.95 144.5 32.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -81.47 -40.99 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.6 pt-20 -52.59 -43.24 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -64.74 -48.74 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 16.8 mtmt -54.02 -56.35 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.7 -26.62 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -60.64 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.02 -32.18 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 HD23 ' CD1' ' A' ' 40' ' ' LEU . 9.2 mt -49.86 -39.56 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 86' ' ' ARG . 12.5 mt -60.37 -39.94 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 mtt -70.4 -29.03 65.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.609 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.11 -39.25 55.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.17 -42.52 83.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -50.39 -38.18 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.01 HD21 ' OD2' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 154.96 43.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.12 116.48 15.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.798 HD12 ' HD2' ' A' ' 48' ' ' PRO . 31.4 tp -69.95 117.47 54.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.798 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.98 163.05 36.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.78 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.0 tp10 -44.07 -44.17 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 -37.82 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -54.89 -39.17 68.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.18 -21.58 62.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.1 mp0 -83.76 -12.27 55.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.12 -176.21 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.5 154.91 18.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -84.82 126.96 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.007 ' HB ' HG13 ' A' ' 65' ' ' VAL . 1.3 mm -107.35 162.75 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 58' ' ' ILE . . . -156.66 173.58 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.39 -10.79 62.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HG11 ' A' ' 65' ' ' VAL . 73.7 m -78.45 169.15 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.44 -12.13 49.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -163.37 -179.55 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HB2' ' CH2' ' A' ' 66' ' ' TRP . 4.8 ptt180 -60.73 140.44 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.007 HG13 ' HB ' ' A' ' 58' ' ' ILE . 4.0 p -152.64 165.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.506 ' N ' HG22 ' A' ' 65' ' ' VAL . 18.1 m-90 -142.88 171.11 14.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.39 126.67 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 80' ' ' PHE . . . -127.7 138.93 10.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 70' ' ' THR . 18.7 p90 -144.37 166.7 24.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 0.739 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -158.97 178.01 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.574 HG13 ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -130.69 135.14 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.51 -164.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -82.27 -30.84 30.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.507 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 111.41 -16.29 26.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 101' ' ' GLY . 1.3 mtmt -44.93 101.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG3' HG13 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -71.28 154.65 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -143.26 104.04 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.71 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 77.8 m-85 -84.33 154.68 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.669 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.0 p90 -165.42 119.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' OD1' ' A' ' 82' ' ' ASP . . . -149.95 -170.4 17.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 1.01 ' OD2' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -164.91 160.1 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 18.9 t -150.73 171.88 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -56.75 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.58 141.85 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -73.31 -56.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 mm -62.17 -39.18 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.49 -37.08 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HG2' HD22 ' A' ' 44' ' ' LEU . 3.4 ttt180 -55.23 -53.13 59.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -68.24 -42.81 82.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 87' ' ' ILE . 8.4 mt -47.55 -42.91 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.68 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.34 -41.71 93.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -50.12 -49.38 51.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 121' ' ' LEU . 2.4 t -60.92 -34.96 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.91 -57.83 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.68 HD13 ' HG ' ' A' ' 92' ' ' LEU . 5.0 mp -49.07 -26.13 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 17' ' ' ALA . 18.5 m -75.21 -48.84 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.88 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.963 HG12 HD21 ' A' ' 107' ' ' LEU . 20.2 m -103.26 33.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 100' ' ' GLU . 2.3 tm-20 -55.25 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.49 45.71 2.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.95 162.53 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -91.32 157.42 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -50.15 -46.92 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -47.09 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.029 HD22 HG21 ' A' ' 140' ' ' ILE . 4.0 mt -51.72 -46.31 63.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 141' ' ' ILE . 19.1 mt-30 -75.06 -21.98 58.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.29 61.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -151.18 131.22 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -72.78 145.44 86.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.0 Cg_endo -75.06 -0.82 10.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.435 1.755 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.9 mt -79.59 -19.36 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.64 -57.89 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -41.22 -61.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.422 ' CE1' HG12 ' A' ' 94' ' ' VAL . 91.7 m-85 -45.51 -54.85 6.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -59.76 -41.58 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -61.24 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.54 -20.66 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.37 30.95 53.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 94' ' ' VAL . 99.7 mt -84.61 -21.06 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.431 ' HG2' ' CB ' ' A' ' 125' ' ' LEU . 0.3 OUTLIER -155.68 24.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.84 -28.03 69.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 21.81 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD11 ' CA ' ' A' ' 130' ' ' SER . 0.3 OUTLIER -44.98 159.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 174.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.947 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.85 -61.53 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.54 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -74.95 -33.09 61.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.576 ' CA ' HD11 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -57.37 -42.19 81.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -49.3 -45.17 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.16 -47.1 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 133' ' ' LEU . 0.4 OUTLIER -54.5 -47.82 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 1.1 m-80 -47.85 -54.63 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.35 -56.61 4.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.0 mt -43.28 -55.72 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 t -63.07 -49.29 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 134' ' ' ASN . 1.7 mm-40 -45.83 -35.97 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.05 -35.6 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 1.029 HG21 HD22 ' A' ' 107' ' ' LEU . 37.0 mt -74.08 -42.07 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' A' ' 108' ' ' GLN . 43.3 mm -56.35 -54.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.09 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -71.52 -47.84 52.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.961 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.7 p -62.54 -45.53 92.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -48.81 -35.36 14.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.12 81.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.14 -43.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -36.9 77.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.51 0.195 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -133.58 162.28 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -106.06 157.06 35.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.22 37.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -128.07 114.09 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -116.49 150.85 37.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . -40.47 128.29 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.26 -32.61 51.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 15.9 p80 43.15 73.05 1.0 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.01 -34.57 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -68.38 59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 150.98 44.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.19 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 ' N ' HG22 ' A' ' 13' ' ' THR . 1.9 m -117.21 -34.72 4.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.722 HG13 HD21 ' A' ' 20' ' ' LEU . 67.9 t -92.12 107.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -127.36 155.55 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.452 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.91 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -47.58 -31.55 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.58 -60.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -49.26 -43.63 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.722 HD21 HG13 ' A' ' 15' ' ' VAL . 15.2 mt -63.82 -37.54 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.33 -32.38 56.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.39 -42.36 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -26.47 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CD1' HD12 ' A' ' 27' ' ' LEU . 10.1 m-85 -86.72 -18.6 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.79 -54.41 3.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 -28.18 9.36 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 24' ' ' PHE . 43.0 mt -62.93 -129.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 88.59 4.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.435 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' TRP . 30.0 mt-30 -109.58 112.71 24.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' GLN . 1.3 t90 -37.65 -52.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -51.79 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -70.7 -55.38 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -43.66 -55.97 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 1.7 t80 -58.85 -30.93 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.561 ' NE2' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.19 -32.19 54.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.928 HD21 HD13 ' A' ' 121' ' ' LEU . 8.4 mt -49.19 -36.1 18.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.442 HG23 ' CB ' ' A' ' 86' ' ' ARG . 11.5 mt -68.42 -38.89 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.7 mmt -62.44 -36.76 83.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -52.4 -28.38 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.27 -54.18 5.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -44.33 -51.72 8.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.59 -43.39 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 11' ' ' PHE . 1.3 tp -51.53 138.61 29.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.85 39.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.09 116.77 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HD2' ' A' ' 48' ' ' PRO . 26.9 tp -68.82 117.79 54.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -75.01 165.6 30.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -64.87 -55.83 17.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -42.59 -41.18 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' HG3' ' A' ' 50' ' ' GLU . 1.1 mm? -73.98 -39.24 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 28.1 mttt -52.54 -37.64 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.51 61.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -81.22 -13.63 58.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -105.08 -174.88 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -113.89 147.65 38.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.43 85.05 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 1.9 mt -66.93 135.96 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.36 83.81 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 169.97 48.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 56.5 m -134.72 -49.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER 166.4 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.4 m120 -151.11 -175.84 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -50.43 128.21 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 63' ' ' ASN . 61.6 t -129.65 152.98 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 52' ' ' LYS . 9.7 m-90 -142.88 121.8 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -137.15 137.07 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -142.05 141.19 10.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 70' ' ' THR . 10.5 p90 -155.76 168.1 28.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 0.799 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 69' ' ' TYR . 4.8 p -156.95 144.41 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 77' ' ' MET . 98.0 t -98.23 132.37 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.26 169.4 10.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -39.65 60.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -69.56 -31.83 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.42 -32.13 5.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 108.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -82.99 164.23 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 104.49 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.417 ' O ' HD23 ' A' ' 96' ' ' LEU . 92.0 m-85 -89.31 148.7 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 55.4 p90 -165.31 121.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -159.25 -162.32 11.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.6 -174.59 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -164.82 164.31 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -47.41 17.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -69.29 113.28 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' CB ' HG23 ' A' ' 38' ' ' ILE . 4.9 mtt85 -46.0 -55.91 6.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 88' ' ' VAL . 6.3 tp -47.48 -56.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.558 ' N ' HG23 ' A' ' 87' ' ' ILE . 58.5 t -63.05 -24.79 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.8 ttt180 -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -61.05 -44.87 97.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 116' ' ' PHE . 2.5 mt -50.29 -52.39 36.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.819 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -46.99 -43.44 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.15 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.737 HG13 ' CD2' ' A' ' 115' ' ' LEU . 2.6 t -42.65 -52.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tt -48.88 -62.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.819 HD13 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mp -52.74 -30.48 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.44 -27.7 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . -74.32 -21.75 59.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.798 HG12 HD22 ' A' ' 107' ' ' LEU . 19.4 m -113.25 24.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -54.96 121.58 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 34.43 72.4 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -144.42 162.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.3 p -92.96 148.74 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.787 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -41.72 -51.12 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.04 -53.77 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -49.71 60.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.798 HD22 HG12 ' A' ' 99' ' ' VAL . 5.3 mt -50.73 -46.79 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.682 ' NE2' HD12 ' A' ' 148' ' ' LEU . 24.2 mt-30 -69.48 -26.72 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.76 -17.83 57.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.04 103.94 4.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.23 134.55 75.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.2 20.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 137' ' ' SER . 7.8 mt -72.41 -19.92 61.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.27 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.91 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.65 -59.63 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.684 ' CE1' HD23 ' A' ' 91' ' ' LEU . 91.8 m-85 -48.2 -56.84 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -56.54 -32.59 65.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -53.72 37.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 24' ' ' PHE . 63.8 mt -75.66 -13.46 60.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 85.58 22.93 48.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.928 HD13 HD21 ' A' ' 37' ' ' LEU . 16.2 mt -85.14 -11.38 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 116' ' ' PHE . 5.5 ttp180 -154.53 30.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' HB2' ' HA2' ' A' ' 120' ' ' GLY . . . -65.32 -49.25 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.451 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -131.42 23.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 129' ' ' ARG . 2.7 mt -44.43 128.39 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.4 t -40.68 160.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.1 -61.36 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 m -45.64 -64.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.615 ' HB3' HD22 ' A' ' 125' ' ' LEU . 1.8 mpt_? -51.67 -55.81 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 26.8 t -48.14 -48.73 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -26.77 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -76.13 -46.16 13.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.638 HD21 HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -55.28 -43.44 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.59 -57.41 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.09 -58.37 3.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.4 mt -41.26 -56.11 2.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.663 ' HB2' HD21 ' A' ' 113' ' ' LEU . 40.8 t -62.1 -51.56 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.07 -35.35 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -53.99 -57.83 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 144' ' ' THR . 34.1 mt -62.45 -36.75 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 19.7 mm -55.52 -53.41 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.91 77.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.413 ' HB1' ' OH ' ' A' ' 69' ' ' TYR . . . -62.2 -55.59 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.787 HG22 ' CB ' ' A' ' 104' ' ' ALA . 13.5 p -53.87 -44.18 70.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -32.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -45.34 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.35 -49.5 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.682 HD12 ' NE2' ' A' ' 108' ' ' GLN . 3.7 mt -50.18 -54.86 17.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.436 0.16 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -114.28 130.56 56.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -142.35 113.2 6.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 131.73 14.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.58 123.45 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -158.34 163.56 37.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.91 109.38 21.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.78 -69.35 0.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 71.66 98.18 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 109.583 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.0 -21.51 15.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 93' ' ' ALA . 2.3 m-30 -64.36 74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' PRO . . . 168.05 -57.91 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.8 -80.18 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -58.98 -40.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 16.8 t -103.51 131.38 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.78 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.1 OUTLIER -146.39 164.14 33.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.419 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.757 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -52.35 -39.18 60.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ARG . 35.4 tt0 -72.72 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -48.72 -38.27 21.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 13.0 mt -65.19 -31.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.9 ttp85 -67.63 -21.89 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.02 -26.58 62.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 99.3 m -75.14 -44.78 45.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.596 ' HD1' HD12 ' A' ' 27' ' ' LEU . 31.6 m-85 -86.82 -19.06 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.14 -53.33 3.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.818 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.01 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HD1' ' A' ' 24' ' ' PHE . 84.7 mt -49.58 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.9 m -75.81 -22.98 55.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.78 149.26 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 124' ' ' GLN . 14.1 t90 -86.93 -33.45 19.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.04 -18.63 61.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' HD13 ' A' ' 27' ' ' LEU . 99.1 m-20 -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -49.42 -62.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.52 -40.09 74.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -60.94 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 tm0? -57.85 -34.44 69.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.1 mt -46.13 -56.81 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 86' ' ' ARG . 3.3 mt -42.87 -43.82 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.88 95.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -31.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . . . -79.69 -51.86 4.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 mtmt -40.2 -46.06 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.94 -47.2 52.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD13 ' HE2' ' A' ' 11' ' ' PHE . 14.3 tp -55.09 137.87 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.0 154.36 42.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 100.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.97 127.23 83.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 144.97 30.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.88 -25.48 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -64.87 -44.58 89.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.46 -27.66 60.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -61.03 -34.44 74.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.73 60.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -82.68 -20.69 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.733 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -99.49 -167.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -114.35 152.35 31.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -85.14 136.67 33.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -137.52 138.05 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.13 88.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' CA ' ' A' ' 132' ' ' GLY . . . -172.95 42.67 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -47.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 170.22 -31.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.2 m-80 -149.35 165.77 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -37.35 144.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 63' ' ' ASN . 82.0 t -140.04 138.32 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 6.2 m-90 -131.41 136.31 47.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 107.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -150.17 135.46 18.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.68 141.72 10.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 42.6 p90 -154.8 170.11 22.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 69' ' ' TYR . 12.4 p -157.99 139.74 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 75' ' ' GLY . 2.3 t -80.87 129.76 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.99 -176.23 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.48 -35.66 81.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -89.84 -27.03 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 131.45 -21.63 4.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 99.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.2 mtp -84.74 148.53 26.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -122.84 104.28 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.629 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.672 ' HB2' HG21 ' A' ' 99' ' ' VAL . 81.8 m-85 -86.1 143.92 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 15.7 p90 -164.53 128.67 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -156.62 -154.79 7.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.691 ' OD1' HD22 ' A' ' 47' ' ' LEU . 4.3 p-10 -171.05 -177.32 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -170.8 166.11 7.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -46.55 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.37 116.0 8.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -44.65 -53.52 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mm -59.27 -61.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.75 -43.33 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.522 ' HD3' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -57.21 -49.04 77.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.03 -44.21 98.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 125' ' ' LEU . 19.4 mt -48.87 -42.61 37.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 88.6 mt -53.41 -54.55 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.585 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . . . -38.31 -64.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.513 HG13 HD22 ' A' ' 115' ' ' LEU . 3.0 t -44.0 -43.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -60.81 -51.94 67.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.547 ' HA ' HG22 ' A' ' 99' ' ' VAL . 3.4 mm? -54.72 -32.61 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.7 -31.3 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -30.98 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.763 HG12 HD21 ' A' ' 107' ' ' LEU . 16.4 m -94.55 31.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.6 tm-20 -55.72 91.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 36.57 44.75 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -95.27 162.25 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.3 p -94.06 146.97 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.794 ' CB ' HG22 ' A' ' 144' ' ' THR . . . -40.07 -57.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.45 -51.74 33.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -54.97 12.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.763 HD21 HG12 ' A' ' 99' ' ' VAL . 10.0 mt -47.45 -48.65 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.42 -29.69 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.31 -19.64 53.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.28 109.42 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 142.92 98.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -4.41 15.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 116' ' ' PHE . 17.6 mt -78.86 -40.63 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . . . -40.18 -31.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -64.56 -54.05 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.512 ' CE2' HD21 ' A' ' 133' ' ' LEU . 25.6 m-85 -49.18 -42.94 41.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -71.13 -28.62 64.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -59.03 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 21' ' ' ARG . 9.0 mt -75.25 -26.03 58.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 82.06 43.77 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.8 mt -85.5 -26.51 26.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.737 ' HA ' HD12 ' A' ' 125' ' ' LEU . 5.5 ttt180 -70.7 -20.89 62.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.19 -40.13 46.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 18.7 mm-40 -79.09 -33.35 44.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 122' ' ' ARG . 53.1 mt -61.51 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.57 174.12 11.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.19 -58.27 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.14 -71.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.465 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -52.0 -45.39 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.7 p -46.61 -44.74 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.498 ' HA ' ' OD1' ' A' ' 134' ' ' ASN . 4.3 tt0 -51.11 -26.41 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.26 -31.07 17.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.498 ' OD1' ' HA ' ' A' ' 131' ' ' GLN . 0.9 OUTLIER -75.03 -34.63 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.416 ' N ' ' ND2' ' A' ' 134' ' ' ASN . . . -64.34 -37.85 88.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.5 mt -75.08 -42.58 56.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -65.91 -53.4 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.6 -31.54 25.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.99 -44.21 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 107' ' ' LEU . 21.3 mt -75.81 -37.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.4 mm -58.85 -46.33 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.08 -55.68 13.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.794 HG22 ' CB ' ' A' ' 104' ' ' ALA . 7.8 p -50.0 -36.2 27.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -34.82 70.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -41.5 55.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.16 -53.14 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 148' ' ' LEU . 3.0 mt -45.34 -47.26 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' C ' HG23 ' A' ' 2' ' ' THR . 3.7 mtm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 1' ' ' MET . 46.3 p -149.95 178.99 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 145.65 46.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 1.2 pt20 -146.87 112.01 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -177.4 171.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.33 146.24 50.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.26 87.84 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -94.65 141.46 23.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.67 21.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.816 ' CZ ' ' HB1' ' A' ' 93' ' ' ALA . 20.0 m-85 -73.02 70.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.91 44.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -170.92 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 13' ' ' THR . 2.0 m -119.09 -36.25 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.423 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.9 t -86.31 87.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.852 ' HA ' HG23 ' A' ' 97' ' ' THR . 1.0 OUTLIER -104.88 179.59 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.833 ' CB ' HD21 ' A' ' 115' ' ' LEU . . . -61.37 -26.93 68.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.63 -61.32 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.7 m -48.69 -42.19 34.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 97' ' ' THR . 5.8 mt -63.02 -40.83 98.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' CG ' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.95 -23.33 65.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -67.97 -23.0 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -84.48 -36.24 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 28.7 m-85 -86.05 -26.38 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.68 -53.44 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.824 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.0 Cg_endo -75.07 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.542 1.812 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 21.9 mt -58.67 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -78.9 -22.57 45.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.62 115.16 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.519 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.4 t-105 -48.11 -44.23 31.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 107.989 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.63 -36.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ARG . 73.9 m-20 -64.64 -57.2 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 12.8 mttt -44.17 -57.51 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.53 -23.74 66.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -75.49 -63.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' MET . 60.5 tp60 -55.01 -40.13 69.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' LEU . 13.5 mt -43.75 -50.83 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 34' ' ' TYR . 3.6 mt -54.08 -38.88 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' GLN . 1.8 mtt -73.95 -32.01 63.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -46.17 -30.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 -42.53 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -46.19 -54.45 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -44.64 -44.23 8.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.6 131.91 77.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.03 40.01 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.06 99.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -55.47 125.96 61.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.13 41.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.77 76.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 tp10 -56.38 -45.36 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -36.26 64.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.33 -37.65 70.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.58 62.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -86.61 -10.52 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.13 -179.49 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.72 148.82 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.62 137.22 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' VAL . 4.2 mt -135.22 110.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.0 89.82 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.92 33.9 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.33 -172.32 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -36.38 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 65' ' ' VAL . 74.0 m-20 -162.49 -178.61 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.46 148.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' ASN . 81.6 t -144.65 128.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 14.6 m-90 -120.27 145.55 46.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.44 132.08 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -140.89 140.22 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 9.8 p90 -149.12 170.64 17.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 69' ' ' TYR . 15.6 p -152.9 137.54 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 77' ' ' MET . 97.1 t -90.33 142.63 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.29 178.94 5.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -29.75 70.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -83.6 -8.91 59.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 102.37 -20.53 44.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -45.09 163.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.88 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -151.5 156.01 39.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -143.03 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.768 ' O ' HD12 ' A' ' 96' ' ' LEU . 72.7 m-85 -81.01 151.97 28.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 28.7 p90 -165.42 119.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -150.73 -149.32 5.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -174.57 170.17 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 t -156.9 167.1 31.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.47 -51.57 6.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.75 155.4 1.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -59.33 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.38 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.55 -50.51 66.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.764 ' O ' HD23 ' A' ' 92' ' ' LEU . 22.5 ttm180 -46.56 -55.98 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.43 -45.52 94.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 125' ' ' LEU . 3.2 mt -48.87 -44.21 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -60.91 -55.32 34.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.816 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -39.01 -57.92 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.0 t -46.78 -44.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 140' ' ' ILE . 7.9 tt -56.98 -48.71 77.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 79' ' ' PHE . 3.1 mm? -56.91 -30.23 63.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.852 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.3 m -76.83 -31.24 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.43 -31.3 60.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG12 HD21 ' A' ' 107' ' ' LEU . 20.7 m -92.04 30.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 48.59 41.94 26.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -93.77 162.14 14.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.3 p -104.9 152.02 23.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.888 ' HB1' ' HB ' ' A' ' 144' ' ' THR . . . -40.79 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.57 -66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.49 -52.9 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.765 HD21 HG12 ' A' ' 99' ' ' VAL . 12.1 mt -47.91 -44.18 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.23 -28.02 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.64 -23.85 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -146.36 116.93 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.8 p -70.51 143.54 90.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.24 18.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.826 HD13 ' NH2' ' A' ' 122' ' ' ARG . 7.6 mt -62.66 -28.68 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -48.91 -60.19 2.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -38.74 -61.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.63 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 94.9 m-85 -46.96 -51.76 16.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.43 -38.49 87.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.91 75.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.552 HD23 ' CG ' ' A' ' 21' ' ' ARG . 17.8 mt -74.73 -26.21 59.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 84.18 40.91 8.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.683 ' CD1' HG21 ' A' ' 94' ' ' VAL . 21.8 mt -85.02 -54.25 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.826 ' NH2' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.519 ' HG2' ' CE2' ' A' ' 30' ' ' TRP . 1.5 mm-40 -82.86 -37.33 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 91' ' ' LEU . 11.8 mt -48.94 133.22 18.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 173.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.73 -50.39 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.39 -58.34 5.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -46.05 77.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 p -48.66 -35.99 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.59 -29.05 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -67.59 -58.97 7.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.732 HD22 HD22 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -45.59 -47.36 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 0.808 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -49.3 -39.93 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -64.59 -35.23 80.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 43.6 mt -72.94 -41.51 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.626 ' HB2' HD21 ' A' ' 113' ' ' LEU . 24.9 t -57.65 -54.36 47.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.16 -27.76 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -58.25 -37.21 74.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.706 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 32.2 mt -74.74 -47.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 12.5 mm -51.09 -49.55 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.831 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -73.49 -45.51 53.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.888 ' HB ' ' HB1' ' A' ' 104' ' ' ALA . 29.3 p -63.99 -44.31 93.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.417 ' H ' ' HG1' ' A' ' 144' ' ' THR . 11.8 mmtt -48.33 -40.75 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.76 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 71' ' ' VAL . 94.4 t -73.64 -49.42 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.613 ' N ' HD23 ' A' ' 148' ' ' LEU . 3.2 mt -50.8 -43.89 58.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.449 0.166 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -46.28 159.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.03 151.95 59.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.25 16.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.74 130.14 16.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -143.54 106.7 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 6' ' ' PHE . . . -179.84 60.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.35 52.48 4.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -57.59 115.21 10.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.618 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -2.63 12.8 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.444 1.76 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.705 ' HE2' HD13 ' A' ' 44' ' ' LEU . 3.8 m-85 -73.78 61.46 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.4 -36.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 14' ' ' THR . 2.1 m -105.42 -89.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 13' ' ' THR . 5.9 m -54.17 -47.37 72.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HD21 ' A' ' 20' ' ' LEU . 3.3 t -96.77 103.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.683 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -121.56 -179.49 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -63.46 -27.53 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.61 -61.17 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -49.63 -46.51 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.61 HD21 HG13 ' A' ' 15' ' ' VAL . 24.2 mt -58.15 -35.55 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -61.39 -28.44 69.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -34.51 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -73.27 -35.84 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.716 ' HD2' HD22 ' A' ' 119' ' ' LEU . 46.4 m-85 -85.94 -23.07 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.48 -54.74 3.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 -42.59 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.76 98.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -98.15 -16.19 19.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.99 115.76 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.418 ' CE2' ' HB3' ' A' ' 123' ' ' ALA . 19.8 t90 -43.35 -44.59 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 10.6 pt-20 -40.41 -48.03 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 67.1 m-20 -65.02 -46.34 81.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -52.39 -53.36 45.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.1 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 38' ' ' ILE . 9.6 ttt85 -73.92 -56.55 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 52.8 tp60 -57.16 -42.2 80.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 121' ' ' LEU . 10.2 mt -43.39 -47.43 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.856 HG23 ' HB3' ' A' ' 86' ' ' ARG . 7.9 mt -54.27 -42.57 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -60.5 -43.15 97.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.826 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -45.41 -32.87 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -70.78 -47.1 41.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -43.32 -48.25 6.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -50.54 56.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 ' HE2' ' A' ' 11' ' ' PHE . 28.6 tp -51.08 126.16 25.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.02 152.26 40.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.43 102.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 115.0 7.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.225 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -47.52 77.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -45.08 -46.53 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -44.93 54.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 1.1 mtmt -53.1 -32.44 47.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.16 -28.34 60.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -81.04 -17.08 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.98 176.55 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.9 OUTLIER -107.41 153.54 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HG3' ' NE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -85.02 129.8 34.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' HB ' HG12 ' A' ' 65' ' ' VAL . 4.5 mt -128.7 152.02 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.09 86.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.99 52.91 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.406 ' SG ' ' CA ' ' A' ' 132' ' ' GLY . 4.9 m -146.37 -48.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 172.66 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.685 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 m-20 -148.75 173.12 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -37.89 146.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 63' ' ' ASN . 95.6 t -142.32 150.78 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' ' HD3' ' A' ' 52' ' ' LYS . 7.6 m-90 -143.21 144.03 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -146.91 132.6 18.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -146.46 137.44 6.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.507 ' CD1' ' CE ' ' A' ' 77' ' ' MET . 14.0 p90 -149.35 160.1 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -146.23 140.28 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.04 141.66 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.21 -175.01 4.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.37 -39.87 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.0 p-10 -85.85 -28.15 24.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.05 -19.08 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -44.68 100.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -85.74 161.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -142.93 104.36 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.945 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 64.5 m-85 -85.16 152.98 22.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.897 ' HA ' HD21 ' A' ' 96' ' ' LEU . 2.2 p90 -165.73 170.21 14.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.061 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.31 -151.78 20.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.135 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 2.8 p-10 -172.9 164.68 5.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.441 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 5.6 t -154.95 158.25 38.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -46.42 27.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 89' ' ' ARG . . . -52.63 121.97 17.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.856 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.33 -59.1 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.9 -55.94 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 91' ' ' LEU . 38.2 t -47.32 -35.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 83' ' ' SER . 7.5 ttt85 -70.6 -44.19 67.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.32 -42.29 90.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 88' ' ' VAL . 64.5 mt -50.18 -39.94 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mt -46.84 -49.75 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.826 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -48.51 -67.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 121' ' ' LEU . 5.7 t -47.81 -37.32 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.019 HD21 HD11 ' A' ' 140' ' ' ILE . 9.1 tt -65.06 -55.52 18.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.897 HD21 ' HA ' ' A' ' 80' ' ' PHE . 8.8 mp -61.3 -25.87 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.683 HG23 ' HA ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -75.45 -31.1 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.84 64.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 140' ' ' ILE . 24.9 m -103.78 32.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 47.26 80.9 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -144.78 158.23 43.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.9 p -75.62 146.3 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 144' ' ' THR . . . -52.72 -37.8 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -30.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.622 ' CD2' HG12 ' A' ' 99' ' ' VAL . 8.9 mt -64.19 -40.73 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' ALA . 5.3 mt-30 -71.53 -27.02 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.22 -29.21 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -102.71 119.6 39.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 114' ' ' ALA . 78.8 p -75.65 113.94 31.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.91 2.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 137' ' ' SER . 13.3 mt -59.26 -31.5 69.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.425 ' HB2' ' OG ' ' A' ' 111' ' ' SER . . . -50.57 -43.6 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -50.16 -59.73 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 94' ' ' VAL . 76.2 m-85 -46.2 -52.35 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -63.04 -36.46 83.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -48.48 78.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.716 HD22 ' HD2' ' A' ' 24' ' ' PHE . 53.0 mt -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.39 35.37 8.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.715 HD11 HG21 ' A' ' 94' ' ' VAL . 22.3 mt -84.25 -42.9 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.735 ' HG3' HD23 ' A' ' 125' ' ' LEU . 24.6 ttp180 -86.78 29.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 30' ' ' TRP . . . -43.52 -64.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.06 27.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.735 HD23 ' HG3' ' A' ' 122' ' ' ARG . 0.3 OUTLIER -44.37 142.69 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.631 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -38.62 136.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -77.06 -58.92 3.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -50.08 -28.53 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.494 ' CA ' HD11 ' A' ' 125' ' ' LEU . 5.0 t -51.39 -31.49 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -18.51 51.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -78.19 -57.15 3.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.59 -38.77 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.446 ' O ' ' CG ' ' A' ' 138' ' ' GLU . . . -64.03 -49.01 74.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.633 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 8.1 mt -63.73 -36.12 82.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.478 ' HB2' HD21 ' A' ' 113' ' ' LEU . 2.8 t -60.68 -59.86 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 135' ' ' ALA . 7.8 pt-20 -51.35 -29.08 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.83 -44.97 82.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 1.026 ' O ' HG23 ' A' ' 144' ' ' THR . 16.4 mt -72.35 -36.32 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 9.8 mm -62.26 -56.04 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.83 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.18 -49.5 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 1.026 HG23 ' O ' ' A' ' 140' ' ' ILE . 28.9 p -65.47 -48.02 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -27.65 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.28 -49.85 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.59 -34.39 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 148' ' ' LEU . 8.0 mt -63.22 -53.86 46.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -174.57 159.6 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -164.69 91.4 0.99 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.97 112.67 6.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -177.23 152.77 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.46 117.42 4.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.1 75.56 0.28 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -82.92 152.08 65.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -13.3 21.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HE2' HD12 ' A' ' 44' ' ' LEU . 17.0 m-85 -65.39 85.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.02 -35.96 2.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -90.54 -34.36 15.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 0.731 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -112.86 -35.07 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.6 m -125.53 89.44 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m -79.82 171.86 14.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.836 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -53.91 -26.59 25.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 26.8 tt0 -81.61 -62.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -43.29 -35.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 97' ' ' THR . 1.2 mt -65.75 -50.12 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -64.32 -18.97 65.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -70.21 -40.42 74.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 2.0 m -75.68 -32.07 59.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ALA . 21.8 m-85 -86.27 -21.42 27.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.805 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.08 -54.21 3.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.805 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.01 -40.46 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . 18.8 mt -64.97 92.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -88.55 -21.28 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.69 128.97 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CH2' ' HB3' ' A' ' 124' ' ' GLN . 6.4 t90 -56.95 -40.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -47.56 -35.32 8.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 71.0 m-20 -70.1 -57.27 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -53.38 52.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -58.03 -37.4 74.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -56.63 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' A' ' 39' ' ' MET . 66.0 tp60 -55.7 -40.4 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 121' ' ' LEU . 11.8 mt -47.47 -48.42 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 86' ' ' ARG . 10.4 mt -54.66 -37.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.408 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . 2.5 mtt -73.6 -26.14 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.79 -23.25 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.89 -46.16 9.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.437 1.086 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -45.69 -39.5 8.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -59.97 -47.79 84.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -53.37 131.61 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.57 31.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.767 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.23 113.15 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' A' ' 48' ' ' PRO . 22.6 tp -67.83 123.37 86.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.3 Cg_endo -74.99 158.94 41.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.61 -38.83 92.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.27 -42.6 81.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.59 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.1 mtmt -55.95 -40.96 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.68 -17.35 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.7 17.05 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.91 -171.35 2.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -119.79 149.17 42.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.8 117.8 24.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 3.4 mm -87.96 158.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.74 102.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.05 -33.5 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ASN . 42.2 m -74.52 176.37 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -38.49 -31.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.7 m-20 -164.41 177.37 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -53.14 143.33 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 12.5 t -139.41 129.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 17.6 m-90 -98.28 126.12 43.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.8 tt -143.65 144.41 31.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -158.97 159.08 30.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.585 ' OH ' ' HB2' ' A' ' 143' ' ' ALA . 35.9 p90 -167.49 164.33 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -140.72 138.62 34.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.525 HG12 ' HA2' ' A' ' 75' ' ' GLY . 6.1 t -82.45 122.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.07 -178.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -35.81 82.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 11.0 p-10 -86.03 -29.41 23.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.525 ' HA2' HG12 ' A' ' 71' ' ' VAL . . . 133.07 -26.03 3.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -44.56 103.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.444 ' CG ' HG22 ' A' ' 71' ' ' VAL . 2.1 mtp -85.48 156.11 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 0.2 OUTLIER -139.41 118.14 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 140' ' ' ILE . 25.1 m-85 -102.1 150.87 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 26.0 p90 -166.48 113.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -148.91 -148.24 4.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.445 ' CG ' HD23 ' A' ' 47' ' ' LEU . 35.4 p-10 -163.89 -170.4 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -156.54 154.31 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -80.77 -37.13 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.4 176.23 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -88.58 -58.31 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.351 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.498 HG22 HD12 ' A' ' 91' ' ' LEU . 24.3 mm -45.42 -66.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.4 t -47.56 -36.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 1.7 ttt180 -54.97 -51.58 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.52 -50.74 53.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.909 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -45.62 -44.99 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.58 -58.82 5.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.88 -64.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 116' ' ' PHE . 2.2 t -41.45 -51.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.6 tt -53.29 -55.92 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -56.84 -30.35 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 20' ' ' LEU . 17.8 m -75.7 -32.1 59.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -75.26 -32.63 61.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.055 HG12 HD21 ' A' ' 107' ' ' LEU . 35.0 m -92.31 32.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.33 99.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.94 45.47 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -94.76 162.69 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.6 p -101.78 155.02 18.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.511 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -46.57 -53.25 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 108' ' ' GLN . . . -49.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -45.83 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.055 HD21 HG12 ' A' ' 99' ' ' VAL . 9.7 mt -51.67 -41.18 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 34.2 mt-30 -73.23 -28.64 62.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.89 59.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.45 110.32 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.26 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -75.11 152.51 86.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.52 8.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.23 -25.12 61.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.41 -58.29 8.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.836 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.89 -61.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CE1' HD23 ' A' ' 91' ' ' LEU . 10.5 m-85 -44.83 -51.37 9.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -64.12 -52.72 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.51 -57.18 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.97 -31.09 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.92 37.66 5.98 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.47 HD22 HD11 ' A' ' 37' ' ' LEU . 67.9 mt -85.26 -68.53 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -86.66 25.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.16 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.485 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -109.9 23.68 14.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 126' ' ' SER . 1.1 pp -55.41 -167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.822 ' N ' HD12 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -164.91 170.28 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.35 -44.18 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -70.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLY . 18.3 mmt180 -51.35 -46.61 62.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -43.06 -64.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -24.04 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -80.36 -53.01 4.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.12 -37.82 69.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.81 -56.11 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.87 -59.1 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 5.9 mt -44.55 -58.93 2.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 140' ' ' ILE . 41.4 t -56.35 -51.58 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -41.4 -38.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -51.0 -45.09 61.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 144' ' ' THR . 3.5 mt -75.23 -46.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 141' ' ' ILE . 5.9 mm -53.13 -39.41 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.05 88.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.585 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -67.92 -48.01 67.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 140' ' ' ILE . 67.6 p -51.85 -40.74 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -58.01 -37.35 74.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -39.05 59.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 71' ' ' VAL . 93.5 t -69.69 -56.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 148' ' ' LEU . 6.7 mt -46.35 -46.67 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.53 0.205 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 2' ' ' THR . 15.3 t -158.01 57.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -117.58 164.28 20.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.85 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -128.54 119.88 25.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.29 175.39 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 -65.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.78 -42.26 3.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 80' ' ' PHE . 5.5 m80 -50.4 118.08 8.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 18.3 Cg_endo -74.99 75.11 3.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HE2' HD12 ' A' ' 44' ' ' LEU . 56.2 m-85 -154.33 57.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.52 -29.48 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -99.16 -60.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -91.47 -45.64 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG13 ' HG ' ' A' ' 20' ' ' LEU . 7.5 t -87.5 97.12 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.814 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.6 OUTLIER -108.69 165.71 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -48.88 -25.06 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tt0 -76.61 -54.82 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -59.18 -37.94 78.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 97' ' ' THR . 2.5 mt -65.85 -57.41 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -59.36 -18.9 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -30.14 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -85.73 -32.99 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 36.1 m-85 -85.42 -25.43 26.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.23 -54.18 3.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.98 -43.35 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 32' ' ' ASP . 37.0 mt -66.49 88.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 28' ' ' THR . 88.3 m -90.69 19.93 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -119.96 120.38 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -54.42 -39.5 67.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -52.91 -36.73 59.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.35 -56.32 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 121' ' ' LEU . 9.6 mttt -45.97 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.813 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -52.55 -31.95 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -62.28 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -22.63 42.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 121' ' ' LEU . 14.3 mt -58.99 -48.82 80.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.5 mp -51.31 -35.65 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtt -75.5 -32.97 60.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -49.89 -32.16 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -41.79 91.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -47.04 -50.43 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -49.52 -35.58 20.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD12 ' HE2' ' A' ' 11' ' ' PHE . 3.7 tp -60.15 127.78 86.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.28 43.05 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.07 98.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.725 HD22 ' OD1' ' A' ' 82' ' ' ASP . 2.9 tp -61.43 128.48 89.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.51 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.96 138.15 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.68 -25.06 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -63.74 -42.76 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.51 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.1 OUTLIER -74.52 -29.29 61.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 9.0 mttt -58.91 -34.42 71.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.63 -14.71 60.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.3 mp0 -90.85 -10.72 41.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.47 -174.03 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -123.64 148.47 46.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.19 86.43 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 58' ' ' ILE . 1.2 mt -65.5 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.98 169.86 11.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.44 -26.85 13.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.83 -176.36 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -49.02 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 m120 -155.53 -172.72 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' CH2' ' A' ' 66' ' ' TRP . 17.0 ptp180 -53.88 119.3 4.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' ILE . 40.1 t -115.25 130.04 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.527 ' CH2' ' HG3' ' A' ' 64' ' ' ARG . 22.7 m-90 -108.56 118.39 36.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.655 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 3.1 tt -135.03 144.98 47.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 79' ' ' PHE . . . -142.5 157.42 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.453 ' CE1' ' HB1' ' A' ' 143' ' ' ALA . 25.7 p90 -159.45 151.18 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 77' ' ' MET . 3.3 p -146.89 146.4 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -94.7 139.09 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.76 -162.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.88 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 76' ' ' LYS . 10.3 p-10 -73.88 -30.32 62.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 127.34 -12.42 6.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -44.04 108.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 70' ' ' THR . 44.8 mtp -81.97 143.24 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.574 ' O ' ' CE2' ' A' ' 80' ' ' PHE . 10.9 m170 -123.1 104.33 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.749 ' CE2' HG23 ' A' ' 140' ' ' ILE . 84.5 m-85 -90.21 141.86 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 78' ' ' HIS . 2.6 p90 -166.35 132.67 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -160.16 -155.46 7.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.725 ' OD1' HD22 ' A' ' 47' ' ' LEU . 19.2 p-10 -174.42 115.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.754 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.543 ' HB2' HD11 ' A' ' 92' ' ' LEU . 44.3 t -86.0 171.48 11.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.04 -48.08 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.79 152.77 52.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HB2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.45 -29.92 57.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.483 HG22 ' CD1' ' A' ' 91' ' ' LEU . 25.4 mm -68.6 -67.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -46.07 -43.51 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.846 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.01 -55.4 5.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -62.51 -44.52 97.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.94 HD23 ' CE1' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -50.15 -48.4 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.952 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.8 mt -47.3 -43.51 22.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.4 -70.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 121' ' ' LEU . 21.0 t -43.25 -52.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.8 tt -52.0 -58.79 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.0 mp -57.73 -29.03 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.991 HG21 HD12 ' A' ' 20' ' ' LEU . 19.1 m -75.46 -33.86 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -74.67 -32.55 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.914 HG12 ' CD2' ' A' ' 107' ' ' LEU . 30.7 m -96.26 32.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 101' ' ' GLY . 9.1 pt-20 -56.19 104.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 100' ' ' GLU . . . 35.48 47.24 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -95.29 151.44 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 p -87.16 148.03 25.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.21 -53.63 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.25 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -42.91 -47.61 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.914 ' CD2' HG12 ' A' ' 99' ' ' VAL . 20.1 mt -54.02 -45.07 71.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' CD ' HD12 ' A' ' 148' ' ' LEU . 13.4 mt-30 -63.01 -34.28 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.95 -14.4 47.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -115.21 -173.55 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -163.85 131.76 2.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.753 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -74.96 -27.14 10.34 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 133' ' ' LEU . 7.7 mt -55.24 -26.12 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.13 -54.4 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.04 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.24 -50.25 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.94 ' CE1' HD23 ' A' ' 91' ' ' LEU . 48.7 m-85 -53.99 -55.28 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.11 -40.03 92.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -52.04 67.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 21' ' ' ARG . 45.0 mt -73.8 -24.49 59.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' PHE . . . 94.1 24.07 20.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.929 HD22 HD11 ' A' ' 37' ' ' LEU . 84.4 mt -83.02 2.98 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.442 ' HG3' HD12 ' A' ' 133' ' ' LEU . 11.2 ttp180 -154.74 30.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.67 13.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.4 21.96 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 129' ' ' ARG . 2.9 mt -44.9 122.5 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 129' ' ' ARG . 0.3 OUTLIER -39.42 147.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.17 -62.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -56.41 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.672 ' HB3' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -52.36 -54.02 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.8 m -45.34 -55.06 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.81 -28.06 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -68.39 -52.37 26.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 116' ' ' PHE . 0.9 OUTLIER -50.89 -53.63 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.27 -58.32 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.86 -61.84 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.593 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 4.8 mt -42.52 -59.09 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.49 ' HB2' HD21 ' A' ' 113' ' ' LEU . 4.5 t -51.55 -51.32 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -46.26 -34.99 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -55.46 -35.55 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 1.034 ' O ' HG23 ' A' ' 144' ' ' THR . 11.6 mm -75.15 -40.62 44.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.3 mm -56.47 -54.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.53 -36.06 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 69' ' ' TYR . . . -71.82 -48.22 47.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 1.034 HG23 ' O ' ' A' ' 140' ' ' ILE . 52.0 p -62.83 -44.25 96.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -38.4 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -59.25 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 85.4 t -52.26 -57.28 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.493 HD12 ' CD ' ' A' ' 108' ' ' GLN . 2.9 mt -48.61 -36.89 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.532 0.206 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -134.88 148.52 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -104.7 154.64 38.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 156.39 42.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -132.09 118.69 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -70.08 173.27 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.37 -68.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.01 172.05 12.42 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.625 ' HB2' HD12 ' A' ' 44' ' ' LEU . 1.1 t-80 63.95 114.42 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 50.28 2.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -72.03 60.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.87 -34.53 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -97.9 -84.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.412 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 -48.48 54.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 15' ' ' VAL . 27.5 t -89.35 79.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.536 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -94.04 168.34 11.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.77 ' CB ' HD11 ' A' ' 115' ' ' LEU . . . -58.72 -23.33 59.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 24.6 tt0 -82.05 -59.75 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.8 m -46.92 -33.71 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 97' ' ' THR . 0.9 OUTLIER -62.69 -54.37 40.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -60.4 -18.67 52.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -66.38 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -83.64 -29.85 27.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 28.1 m-85 -86.45 -24.39 25.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.86 -52.78 3.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 -32.33 5.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 24' ' ' PHE . 20.1 mt -72.1 88.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 m -84.32 -21.6 30.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -80.77 119.37 23.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -54.61 -29.65 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.37 -32.7 72.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.04 -56.59 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HB3' HD21 ' A' ' 121' ' ' LEU . 10.5 mttt -46.75 -62.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.81 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.75 -31.65 49.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -72.82 -63.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -23.1 37.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.105 HD11 HD22 ' A' ' 121' ' ' LEU . 12.4 mt -58.29 -44.17 88.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.09 -32.91 51.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmt -75.26 -28.39 59.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD21 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.79 -40.69 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.59 88.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -50.16 -45.72 53.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.85 -42.31 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 9' ' ' HIS . 10.5 tp -60.19 133.81 90.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.46 35.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.83 107.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 48' ' ' PRO . 6.3 tp -63.81 133.84 95.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HG2' HD12 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.93 152.48 41.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -60.58 -44.09 96.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' HG2' ' A' ' 48' ' ' PRO . 0.2 OUTLIER -74.36 -29.69 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' HD23 ' A' ' 47' ' ' LEU . 10.1 mttt -58.57 -34.5 71.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.52 60.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.4 mp0 -87.96 -17.37 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -93.71 -169.41 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.1 mtmm -114.01 150.05 34.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 133.17 34.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.491 ' HB ' HG12 ' A' ' 65' ' ' VAL . 7.7 mt -131.46 133.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.23 -170.67 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.77 -16.87 43.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.64 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -38.15 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 65' ' ' VAL . 26.0 m120 -157.15 178.04 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -38.64 150.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 63' ' ' ASN . 92.6 t -145.27 145.51 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 12.8 m-90 -138.3 146.46 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -158.97 132.97 7.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -136.86 150.65 20.66 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' THR . 44.2 p90 -156.28 174.11 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 69' ' ' TYR . 9.2 p -158.57 146.37 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.696 HG22 ' SD ' ' A' ' 77' ' ' MET . 2.4 t -109.37 163.99 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.44 -171.9 3.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -51.81 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -63.98 -12.72 40.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.551 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 84.13 -12.83 52.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 77' ' ' MET . 0.0 OUTLIER -48.1 156.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.696 ' SD ' HG22 ' A' ' 71' ' ' VAL . 84.9 mtp -150.53 140.34 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.42 104.18 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 87.7 m-85 -74.87 147.45 41.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 31.4 p90 -157.39 123.05 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -152.6 -159.75 9.21 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.432 ' OD1' ' CD2' ' A' ' 47' ' ' LEU . 14.0 p-10 -166.24 173.82 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 92' ' ' LEU . 3.2 t -157.31 168.95 25.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -40.25 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.02 131.64 50.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.4 77.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 87' ' ' ILE . 3.6 tp -81.7 -48.33 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' ILE . 94.5 t -52.74 -46.31 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.3 ttt180 -45.02 -55.05 5.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.71 89.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.42 -41.9 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 89' ' ' ARG . 2.9 mt -59.96 -52.69 64.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' LEU . . . -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG13 HD22 ' A' ' 115' ' ' LEU . 2.1 t -47.98 -46.39 12.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.498 ' C ' HD23 ' A' ' 95' ' ' LEU . 8.4 tt -59.12 -58.96 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.2 mt -52.79 -29.89 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 20' ' ' LEU . 2.7 m -75.63 -28.15 58.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 112' ' ' PRO . . . -73.67 -31.33 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.047 HG12 HD21 ' A' ' 107' ' ' LEU . 13.0 m -92.9 32.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 2.0 pt-20 -55.55 100.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 39.58 43.53 2.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -88.76 165.12 14.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 61.8 p -106.08 155.95 18.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 144' ' ' THR . . . -45.07 -54.32 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.35 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -47.46 -52.48 16.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.047 HD21 HG12 ' A' ' 99' ' ' VAL . 5.9 mt -49.43 -46.27 47.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.42 -33.82 76.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.01 -0.61 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 107' ' ' LEU . 1.1 tt0 -134.11 -173.19 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -163.97 128.56 1.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.755 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 18.4 Cg_endo -74.99 -8.31 19.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 133' ' ' LEU . 14.8 mt -76.32 -28.2 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.07 96.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.77 HD11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -50.47 -53.79 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.448 ' CD1' HG11 ' A' ' 94' ' ' VAL . 21.6 m-85 -50.0 -53.75 24.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.53 -38.9 91.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -56.49 21.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 21' ' ' ARG . 93.0 mt -64.43 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.22 30.88 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.105 HD22 HD11 ' A' ' 37' ' ' LEU . 95.8 mt -85.78 -102.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.702 ' HD2' HD12 ' A' ' 125' ' ' LEU . 2.3 ttt-85 39.15 28.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -67.99 -43.83 78.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 124' ' ' GLN . 0.4 OUTLIER -73.91 -60.27 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.915 HD13 ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -62.21 85.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -153.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.57 -55.03 6.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.1 t -81.29 -37.98 27.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -22.97 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.6 t -55.7 -28.18 54.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -29.31 48.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 135' ' ' ALA . . . -68.2 -56.2 11.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.915 ' CD1' HD13 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -49.84 -46.94 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -43.54 -31.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 132' ' ' GLY . . . -64.82 -48.66 73.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 3.5 mt -64.73 -38.69 91.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.3 t -62.19 -59.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.02 -27.46 32.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -59.17 -42.4 90.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 33.8 mt -75.48 -36.29 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.53 -51.95 67.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.74 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.517 ' HB2' ' OH ' ' A' ' 69' ' ' TYR . . . -61.32 -61.6 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.9 p -51.77 -36.06 46.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -55.13 -30.87 60.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.42 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.662 ' CG2' HG21 ' A' ' 71' ' ' VAL . 73.9 t -62.47 -53.62 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.7 -53.02 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.519 0.2 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.45 149.92 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -174.6 95.38 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.75 13.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.446 1.761 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -146.12 -166.69 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -179.46 172.37 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.33 95.0 0.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 6.3 p-80 -165.34 130.84 1.99 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.784 . . . . 0.0 109.574 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.704 ' HB2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.07 -79.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.674 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.2 m-85 31.77 91.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.25 -42.1 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -65.75 -56.77 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -114.85 -28.99 6.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 10' ' ' PRO . 16.1 m -111.93 90.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.61 ' HA ' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -94.47 164.91 12.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.026 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -49.1 -36.41 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 tt0 -71.02 -61.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 m -42.7 -38.47 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 97' ' ' THR . 1.4 mt -65.51 -51.66 58.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.35 -21.01 64.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.4 m-20 -72.41 -34.2 67.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.731 HG21 ' OE1' ' A' ' 36' ' ' GLN . 85.2 m -77.4 -34.24 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.688 ' HD2' HD22 ' A' ' 119' ' ' LEU . 16.7 m-85 -85.85 -23.66 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.816 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -41.89 -53.62 7.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.816 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.09 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.8 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -57.32 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' OE1' ' A' ' 29' ' ' GLN . 15.1 t -75.99 -25.2 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' OE1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -78.81 105.2 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.536 ' CD2' ' NE2' ' A' ' 124' ' ' GLN . 2.8 t90 -44.35 -42.22 6.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.051 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -44.37 -35.82 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -64.76 -57.09 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -42.78 -63.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.3 t80 -52.88 -30.9 36.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -62.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.731 ' OE1' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -56.41 -18.79 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 34' ' ' TYR . 13.1 mt -64.02 -38.53 91.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -65.16 -34.4 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.39 -43.99 92.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -45.47 -50.33 12.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.3 -53.42 13.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -38.55 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.86 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -59.72 138.99 89.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.98 161.47 38.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.03 106.45 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -54.73 127.37 60.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' LEU . 18.3 Cg_endo -75.03 167.83 26.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -43.94 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.0 pt-20 -51.75 -42.98 62.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -33.51 63.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 mtmt -55.51 -33.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.02 -21.58 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.7 mp0 -80.03 -20.28 45.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -102.92 -168.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtmm -113.0 150.34 32.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.28 129.05 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' VAL . 8.0 mt -127.22 114.91 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.7 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.58 35.76 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -141.36 -171.24 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' A' ' 88' ' ' VAL . 4.0 mm-40 -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 t-20 -174.5 -175.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -42.65 144.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.903 HG11 HD21 ' A' ' 136' ' ' LEU . 96.2 t -138.46 129.5 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 64' ' ' ARG . 2.5 m-90 -117.78 139.54 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -158.27 134.11 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.39 151.27 21.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' THR . 30.3 p90 -154.21 160.88 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' TYR . 20.4 p -157.47 156.37 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -108.62 140.36 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.28 -168.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.02 69.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -25.02 23.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.818 ' O ' HG12 ' A' ' 71' ' ' VAL . . . 109.6 -22.24 24.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.75 107.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG2' HG13 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -75.96 157.52 33.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -140.83 104.15 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.78 ' CD1' HG21 ' A' ' 99' ' ' VAL . 69.7 m-85 -84.55 149.49 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 21.5 p90 -165.5 117.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -150.79 -153.03 6.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.611 ' OD1' HD22 ' A' ' 47' ' ' LEU . 9.0 p-10 -170.07 -171.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.01 145.17 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 25.34 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -113.6 176.6 17.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -90.42 -59.42 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 mm -78.98 -44.27 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 62' ' ' GLU . 60.0 t -50.07 -37.6 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.768 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.0 ttt180 -61.67 -37.49 84.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.44 -42.57 27.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.937 HD23 ' CE1' ' A' ' 116' ' ' PHE . 5.6 mt -50.9 -49.47 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -49.32 -52.27 28.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.25 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.2 t -39.74 -46.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.942 HD21 HD11 ' A' ' 140' ' ' ILE . 10.1 tt -58.15 -56.45 21.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.3 mp -52.58 -30.63 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 20' ' ' LEU . 1.8 m -75.03 -27.91 60.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.57 -39.6 64.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.905 HG12 HD22 ' A' ' 107' ' ' LEU . 17.6 m -95.24 31.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 93.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 47.09 82.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -144.73 159.36 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.9 p -87.11 147.06 25.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -41.09 -56.01 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.23 -49.43 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -48.23 68.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.905 HD22 HG12 ' A' ' 99' ' ' VAL . 42.5 mt -54.64 -44.47 73.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -61.44 -34.98 76.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.41 -21.44 59.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.96 103.43 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.41 151.93 94.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -80.41 -22.73 40.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.78 84.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.71 -60.16 4.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.937 ' CE1' HD23 ' A' ' 91' ' ' LEU . 33.1 m-85 -48.09 -44.11 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.89 -43.63 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -60.8 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.688 HD22 ' HD2' ' A' ' 24' ' ' PHE . 90.0 mt -60.48 -30.0 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.24 41.81 7.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 37' ' ' LEU . 21.3 mt -85.25 -45.66 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 122' ' ' ARG . 1.5 tmm_? -68.8 -25.25 64.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.61 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 30' ' ' TRP . 1.6 tp-100 -74.81 -48.3 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.627 ' CD1' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -47.37 116.38 1.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 m -48.12 173.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.75 -55.51 19.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.9 t -40.49 -62.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 5.4 mpt_? -62.31 -51.35 68.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 t -47.09 -38.46 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.461 ' HA ' ' ND2' ' A' ' 134' ' ' ASN . 10.9 tm0? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -69.23 -28.52 72.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.616 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER -65.5 -63.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 131' ' ' GLN . 5.4 p30 -50.03 -33.14 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' N ' ' OD1' ' A' ' 134' ' ' ASN . . . -63.17 -35.82 81.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.903 HD21 HG11 ' A' ' 65' ' ' VAL . 9.5 mt -73.78 -35.93 65.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -56.99 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -49.83 -30.2 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -56.74 -38.11 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.942 HD11 HD21 ' A' ' 95' ' ' LEU . 36.2 mt -75.05 -41.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 mm -56.08 -52.14 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.19 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.87 -56.18 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.43 ' CB ' ' HB1' ' A' ' 104' ' ' ALA . 32.5 p -56.53 -41.56 76.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -33.14 18.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -49.05 22.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 59.8 t -57.43 -47.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 148' ' ' LEU . 5.6 mt -66.22 -25.29 66.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.549 0.214 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 2' ' ' THR . 6.1 m -138.0 63.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -176.95 136.36 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -146.83 132.63 18.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -135.61 177.54 7.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.5 -59.9 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . . . 60.69 138.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 22.9 m-70 -154.45 153.58 28.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.621 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.622 ' HB2' HG23 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -75.02 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -69.92 80.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 16' ' ' THR . . . 176.26 -63.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -108.63 -64.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 19' ' ' THR . 16.6 m -60.34 -40.78 91.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 10' ' ' PRO . 71.6 t -121.49 70.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' GLY . 2.1 m -89.21 170.66 10.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.065 ' HB2' HD21 ' A' ' 115' ' ' LEU . . . -57.1 -30.99 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.7 tp10 -74.91 -60.11 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 14' ' ' THR . 54.5 m -45.24 -42.81 9.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 97' ' ' THR . 7.6 mt -64.4 -35.91 82.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.595 ' HG3' HD23 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -64.3 -21.1 66.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.78 -36.11 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.24 -35.22 68.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE1' ' CD ' ' A' ' 36' ' ' GLN . 76.7 m-85 -86.14 -22.06 27.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -39.03 -54.55 3.22 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.94 -37.86 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.78 86.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.3 t -84.33 -24.78 29.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.91 118.29 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CE2' ' CB ' ' A' ' 124' ' ' GLN . 18.0 t90 -47.75 -43.31 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -41.48 -30.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.31 -56.61 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 5.8 mttt -46.3 -51.32 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CE2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -62.05 -33.26 74.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.49 -60.9 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.583 ' CD ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -55.06 -31.89 61.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 37' ' ' LEU . 7.3 mt -52.87 -24.58 9.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.696 HG23 ' HB3' ' A' ' 86' ' ' ARG . 47.0 mt -75.24 -51.05 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 1.8 ptm -54.06 -28.19 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HG2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -45.24 -60.22 2.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.32 -56.66 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -49.97 -32.93 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -46.17 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.83 149.2 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.97 35.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.62 108.33 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.802 HD12 ' HD2' ' A' ' 48' ' ' PRO . 12.5 tp -66.43 134.15 94.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.802 ' HD2' HD12 ' A' ' 47' ' ' LEU . 18.2 Cg_endo -74.99 153.54 41.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -31.63 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.82 -44.82 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.19 -32.94 67.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -53.1 -36.02 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.0 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.74 -25.53 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -91.8 -169.9 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 1.1 mtmm -120.73 146.02 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -80.88 122.64 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -92.28 175.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.658 ' H ' HG22 ' A' ' 58' ' ' ILE . . . -167.54 67.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.93 29.11 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 136' ' ' LEU . 1.8 m -133.89 -178.63 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.61 -25.4 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -163.96 -168.15 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -59.51 153.49 19.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 83' ' ' SER . 1.4 t -147.98 164.18 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 31.5 m-90 -135.75 141.19 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.647 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.12 133.98 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 80' ' ' PHE . . . -141.8 140.62 10.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 143' ' ' ALA . 23.1 p90 -153.84 164.73 37.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.8 p -150.31 137.8 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.848 HG22 ' HG3' ' A' ' 77' ' ' MET . 57.7 t -91.15 145.97 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.79 172.97 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -10.39 32.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -32.36 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 71' ' ' VAL . . . 131.45 -25.99 3.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 1.9 mttm -44.56 163.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.848 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -152.37 157.81 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -143.69 105.67 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.23 154.46 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 68' ' ' GLY . 8.9 p90 -161.03 119.79 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . -139.47 -170.31 11.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.467 ' CG ' HD23 ' A' ' 47' ' ' LEU . 14.0 p-10 -173.63 107.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.643 ' HB2' HG13 ' A' ' 65' ' ' VAL . 29.8 t -83.35 171.23 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -82.83 -38.52 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.92 161.08 54.22 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.696 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -87.8 -31.66 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 0.708 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -73.95 -49.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.638 ' HA ' HD12 ' A' ' 91' ' ' LEU . 43.5 t -58.68 -52.38 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.671 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.4 mtt180 -43.6 -36.56 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -71.27 -49.04 28.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 88' ' ' VAL . 10.4 mt -48.69 -53.46 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 89' ' ' ARG . 1.2 mt -51.26 -46.06 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . -45.94 -70.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 121' ' ' LEU . 2.3 t -42.37 -44.41 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.443 HD21 HD11 ' A' ' 140' ' ' ILE . 10.3 tt -60.81 -56.52 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 99' ' ' VAL . 2.7 mt -50.31 -30.34 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 20' ' ' LEU . 2.8 m -76.07 -28.06 57.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -74.56 -30.3 61.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.105 HG12 HD21 ' A' ' 107' ' ' LEU . 5.6 m -92.27 31.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CG ' ' HA2' ' A' ' 12' ' ' GLY . 5.5 tm-20 -55.47 103.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 40.06 36.62 0.89 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -88.92 159.33 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.2 p -100.35 153.38 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -44.96 -54.8 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.74 -55.6 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -50.17 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.105 HD21 HG12 ' A' ' 99' ' ' VAL . 5.5 mt -52.16 -48.91 64.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.91 -34.62 73.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.02 -20.9 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -163.77 118.66 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.2 m -68.39 145.65 97.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 18.5 Cg_endo -74.98 0.95 8.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 137' ' ' SER . 12.8 mt -71.66 -21.27 61.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -59.0 -48.36 81.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.065 HD21 ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.67 -50.7 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 91' ' ' LEU . 91.2 m-85 -58.6 -62.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.94 -31.86 42.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -50.97 69.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 21' ' ' ARG . 30.4 mt -75.52 -26.17 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.66 23.97 6.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.1 mt -86.27 -48.57 8.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -82.1 -18.36 43.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.48 67.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.585 ' CB ' ' CE2' ' A' ' 30' ' ' TRP . 2.7 mp0 -74.51 -12.74 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.825 HD22 ' HB2' ' A' ' 129' ' ' ARG . 8.6 mt -66.79 -165.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.21 164.2 25.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.55 -51.61 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.6 t -40.09 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.825 ' HB2' HD22 ' A' ' 125' ' ' LEU . 6.4 mmt180 -63.05 -40.77 98.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.0 t -43.8 -53.45 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER -44.91 -27.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . -82.12 -50.57 4.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.38 -26.41 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.55 -50.79 19.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.9 -50.5 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.578 HD11 ' SG ' ' A' ' 61' ' ' CYS . 8.3 mt -58.52 -51.98 67.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 113' ' ' LEU . 3.1 t -54.91 -49.0 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -43.79 -37.08 2.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.01 -41.85 68.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.784 ' CG2' HD13 ' A' ' 107' ' ' LEU . 37.9 mt -72.65 -46.47 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.7 mm -50.56 -49.03 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.25 87.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 69' ' ' TYR . . . -59.38 -59.77 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 140' ' ' ILE . 53.4 p -52.56 -45.96 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -45.53 -33.41 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -62.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 71' ' ' VAL . 96.0 t -51.72 -47.04 39.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.77 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.468 0.175 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -61.12 146.02 48.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -113.53 111.43 49.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.7 26.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -146.01 90.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -144.55 -179.28 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' PHE . . . 67.18 114.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.15 56.3 0.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -48.94 122.36 11.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.594 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.16 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE1' ' HB1' ' A' ' 93' ' ' ALA . 25.8 m-85 -71.74 80.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 -37.51 1.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m -78.67 -82.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.573 ' O ' HG21 ' A' ' 19' ' ' THR . 2.9 m -95.66 -6.27 40.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 15' ' ' VAL . 58.8 t -132.15 71.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 18' ' ' GLU . 5.3 t -101.83 -169.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.967 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -58.05 -31.83 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.614 ' H ' HG23 ' A' ' 16' ' ' THR . 19.5 tt0 -70.01 -61.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 14' ' ' THR . 53.3 m -55.47 -40.92 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 97' ' ' THR . 9.1 mt -65.63 -29.34 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.694 ' CG ' HD21 ' A' ' 119' ' ' LEU . 8.3 mtm105 -74.55 -19.31 60.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.83 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -71.62 -38.05 70.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 119' ' ' LEU . 21.8 m-85 -87.04 -19.18 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -38.97 -52.7 3.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 -40.16 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.29 82.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -28.83 59.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -73.13 129.79 38.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.68 ' O ' ' CE3' ' A' ' 30' ' ' TRP . 1.8 t-105 -71.53 -31.59 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.98 -12.44 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.06 -58.0 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -51.78 -49.25 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.676 ' HA ' HD12 ' A' ' 37' ' ' LEU . 17.0 t80 -47.81 -36.76 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -58.2 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -24.11 49.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 121' ' ' LEU . 12.6 mt -54.33 -31.91 55.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.71 -30.4 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttm -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -40.59 -50.08 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.25 -55.42 21.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -42.96 -41.85 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.32 -46.18 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 141.02 81.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.51 38.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.39 100.67 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' OD1' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.53 114.45 8.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.6 42.64 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -46.08 -35.4 4.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 4.0 tp10 -53.87 -53.15 56.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -74.88 -33.92 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HD3' ' CD2' ' A' ' 66' ' ' TRP . 6.0 mttt -63.33 -33.79 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.99 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 2.2 mp0 -83.24 -5.75 59.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' C ' ' A' ' 67' ' ' LEU . . . -104.95 179.39 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -106.3 153.07 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.55 136.97 33.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' VAL . 19.3 mt -136.43 139.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.33 40.05 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -135.89 -47.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 1.4 mt-10 176.07 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 40.5 m-80 -155.66 -173.32 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -49.63 141.37 9.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 63' ' ' ASN . 54.1 t -143.85 118.31 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 64' ' ' ARG . 19.9 m-90 -110.91 132.17 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -140.62 134.94 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' PHE . . . -135.16 149.0 19.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.652 ' O ' HG23 ' A' ' 70' ' ' THR . 7.0 p90 -166.11 165.24 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 69' ' ' TYR . 6.1 p -159.11 142.28 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 77' ' ' MET . 73.9 t -84.27 136.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.83 169.42 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -65.14 -11.38 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -16.03 15.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.67 -38.01 3.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -83.65 162.68 20.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' TYR . 24.4 m170 -137.68 103.91 5.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.688 ' CZ ' HG23 ' A' ' 140' ' ' ILE . 53.9 m-85 -90.86 148.64 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 53.1 p90 -165.41 175.48 9.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 66' ' ' TRP . . . 155.37 -157.08 27.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.606 ' OD1' HD22 ' A' ' 47' ' ' LEU . 8.4 p-10 -164.86 177.83 7.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -155.13 158.14 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -83.37 -30.89 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.13 48.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -83.31 -51.17 7.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.2 mm -65.29 -53.6 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.1 t -50.37 -44.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -47.39 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.17 -46.09 52.41 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.433 ' CD2' ' CE2' ' A' ' 116' ' ' PHE . 13.1 mt -47.45 -27.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.862 ' O ' HD22 ' A' ' 96' ' ' LEU . 98.0 mt -65.21 -59.93 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.633 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -39.65 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.064 HG21 HD12 ' A' ' 121' ' ' LEU . 24.2 t -42.43 -42.7 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -60.05 -61.24 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.862 HD22 ' O ' ' A' ' 92' ' ' LEU . 1.7 mm? -53.38 -29.5 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -76.17 -35.25 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.3 99.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 107' ' ' LEU . 16.9 m -90.59 33.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.39 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 39.55 80.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -144.19 157.12 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.3 p -77.38 146.44 36.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 144' ' ' THR . . . -45.39 -43.56 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.52 -55.32 33.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.02 -44.47 30.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 99' ' ' VAL . 78.9 mt -53.94 -47.02 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.34 -17.64 61.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.43 -24.32 29.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 107' ' ' LEU . 7.7 tt0 -137.78 119.63 15.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.7 m -65.97 127.75 93.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.18 15.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 137' ' ' SER . 15.6 mt -61.66 -22.26 65.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' LEU . . . -54.28 -61.04 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.15 -57.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 120' ' ' GLY . 95.8 m-85 -50.64 -58.75 5.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -55.22 -40.6 71.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.11 55.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.694 HD21 ' CG ' ' A' ' 21' ' ' ARG . 71.7 mt -76.11 -1.04 24.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.617 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . . . 50.18 33.19 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.064 HD12 HG21 ' A' ' 94' ' ' VAL . 7.6 mt -79.31 3.32 18.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.766 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -154.18 25.16 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.04 -16.01 38.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -15.07 59.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 122' ' ' ARG . 0.3 OUTLIER -50.99 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 m -164.71 176.07 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.02 -25.4 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -63.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.96 -22.23 36.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.92 -45.07 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -17.48 61.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.91 -53.79 3.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 122' ' ' ARG . 1.3 mt -57.77 -34.48 69.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -64.15 -54.35 35.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.16 2.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 95' ' ' LEU . 5.7 mt -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.525 ' HB2' HD21 ' A' ' 113' ' ' LEU . 30.0 t -62.72 -48.77 77.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.59 -38.09 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.74 82.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.912 ' O ' HG23 ' A' ' 144' ' ' THR . 26.4 mt -72.62 -37.11 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 -54.22 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.04 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.1 -58.14 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 140' ' ' ILE . 43.0 p -55.77 -42.8 76.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -37.04 63.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -42.44 56.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.63 -36.47 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 148' ' ' LEU . 7.8 mt -71.85 -28.17 63.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 stop_ save_