data_2jwt_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 2jwt _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' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.812 0.339 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -53.42 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.26 -41.09 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.78 -46.69 74.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.66 -36.5 84.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.354 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.22 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.93 -48.58 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 6.0 mt -59.81 -41.05 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.618 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -39.11 93.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.176 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -61.13 -45.63 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.302 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -65.32 -39.23 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 67.3 t80 -64.94 -35.43 81.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -83.03 -34.25 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.513 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -160.73 127.29 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -73.12 -1.22 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.959 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.42 -175.8 2.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.79 0.329 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 49' ' ' PHE . 4.4 mt -149.16 134.37 18.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -93.62 161.92 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.008 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -49.77 68.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.469 . . . . 0.0 110.296 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.29 -40.48 86.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.458 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -67.33 -42.5 83.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -51.98 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.44 . . . . 0.0 110.751 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -36.28 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.519 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 mm-40 -66.87 -46.01 76.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.05 -43.72 97.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -47.71 85.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.999 0.428 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.9 t -70.39 -36.75 74.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.72 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.66 -56.06 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.24 -33.52 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.382 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.23 45.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.402 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -123.43 168.28 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -80.49 132.78 35.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.08 -35.56 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.08 86.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 41' ' ' ASN . 1.2 mt-30 -69.68 -41.83 74.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 mt -64.94 -44.96 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -58.74 -46.01 88.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.59 -37.09 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.652 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.0 t90 -60.65 -43.47 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD2' HD12 ' A' ' 26' ' ' LEU . 1.4 m-85 -68.85 -42.47 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.12 -39.18 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -37.98 71.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.0 tptt -66.72 -34.94 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.727 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.694 0.283 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -37.89 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.05 -46.74 87.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.108 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.47 -31.78 71.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.04 0.447 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 13' ' ' LEU . 2.2 mm? -64.64 -49.08 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.799 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.29 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -63.67 -43.77 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 5.3 mt -63.87 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.448 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -60.92 -37.16 81.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -47.11 84.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.02 -37.67 86.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 52.7 t80 -65.22 -38.91 91.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -29.03 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -83.02 -35.16 26.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -159.03 116.74 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.676 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 29.9 mtt180 -73.16 -5.87 42.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.784 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -103.59 177.14 4.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 26' ' ' LEU . 6.7 mt -141.43 -177.09 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.279 0.561 . . . . 0.0 111.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -154.82 165.9 35.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.755 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -51.31 68.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.02 -37.52 82.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.174 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -68.61 -44.99 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -61.83 -47.35 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.95 -41.24 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.05 -43.76 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.412 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -60.71 -45.8 92.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.91 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.539 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.21 -48.86 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.17 -26.63 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 111.47 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.51 34.56 8.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.062 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.52 172.07 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.039 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.83 140.79 32.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.1 -39.35 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -69.67 -41.26 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 35' ' ' SER . 4.3 mt -67.44 -42.47 87.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.72 -45.99 88.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.85 -38.46 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CZ2' ' HD2' ' A' ' 52' ' ' LYS . 78.9 t90 -61.59 -44.3 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.95 -50.3 69.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.76 98.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -67.5 -45.32 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.619 0.247 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -53.42 -38.13 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.38 -48.76 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.184 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -66.79 -31.64 72.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.929 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? -63.14 -50.02 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.288 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.784 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.93 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -64.18 -42.17 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.596 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -62.98 -40.94 99.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -45.51 93.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -68.47 -38.17 80.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 57.1 t80 -63.27 -37.81 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.53 -28.44 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.97 -37.79 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -156.8 124.17 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 6.7 mtm105 -73.16 -3.5 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.079 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -109.02 -172.91 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD11 ' CD1' ' A' ' 49' ' ' PHE . 5.8 mt -146.8 176.93 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 111.177 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -147.36 162.8 38.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -48.25 76.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.058 0.456 . . . . 0.0 110.387 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.098 179.465 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -50.29 44.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -57.46 -42.38 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 33' ' ' GLN . 6.6 pt20 -67.46 -39.22 85.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.982 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 4.3 mm100 -67.04 -51.98 48.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.58 -37.34 83.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -50.39 73.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -42.79 74.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.768 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.93 -49.14 69.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.14 -17.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.41 29.05 41.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.644 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.02 165.04 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.696 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.439 ' HB3' ' HG3' ' A' ' 44' ' ' GLN . 14.4 t-20 -82.07 141.7 32.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 111.099 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.02 -33.59 52.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.903 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG3' ' HB3' ' A' ' 41' ' ' ASN . 2.8 mt-30 -68.85 -42.63 76.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.2 mt -64.54 -43.54 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.91 88.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.44 -37.38 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 70.5 t90 -61.89 -50.34 72.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.435 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.3 m-85 -63.87 -41.91 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.593 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -43.05 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -34.44 70.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -66.29 -40.16 89.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.38 -39.98 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.26 -40.46 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.671 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.66 -34.09 77.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.541 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.49 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.52 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.7 mt -60.39 -40.6 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.663 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.88 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.487 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -41.65 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 53.1 t80 -63.1 -37.61 87.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.25 -29.95 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.08 -35.21 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.56 116.79 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -73.32 1.72 8.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.842 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -121.73 129.54 52.78 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.797 0.332 . . . . 0.0 110.359 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 10.7 mt -92.97 -177.76 4.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.392 0.615 . . . . 0.0 111.631 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -149.03 167.47 25.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.434 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.69 -50.86 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 0.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -39.62 87.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.379 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.23 -42.89 75.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.34 -179.307 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.79 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -66.95 -50.81 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.71 -36.9 84.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.72 76.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -68.9 -41.68 77.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.588 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -56.18 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.016 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.27 -9.93 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.718 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 38.04 70.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -111.84 168.83 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 132.65 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.781 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.92 -38.5 50.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.351 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.74 -39.05 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.665 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -65.76 -46.18 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.498 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -45.79 88.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.604 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mt -63.34 -37.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 84.8 t90 -64.18 -43.02 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.6 m-85 -67.82 -45.02 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -63.3 -38.46 91.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.77 -36.81 70.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 7.6 mptt -66.84 -31.83 72.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.524 -0.02 0 CA-C-O 120.782 0.325 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -53.37 -46.14 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.85 -40.67 91.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.09 -45.52 80.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.54 -36.73 83.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.347 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.76 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.461 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -51.36 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.549 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 6.7 mt -59.94 -38.07 81.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.668 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -63.02 -43.67 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.8 93.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -40.41 93.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.528 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 74.0 t80 -65.26 -34.99 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.789 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.37 -29.93 70.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -83.07 -38.61 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.79 120.85 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 8.9 mtt85 -73.07 -2.48 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.94 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.36 130.44 55.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.312 . . . . 0.0 110.533 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 10.9 mt -99.32 -177.83 3.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.322 0.582 . . . . 0.0 111.482 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -148.22 167.22 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.325 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.66 -51.06 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.943 0.401 . . . . 0.0 110.195 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -37.3 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.976 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.84 62.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.212 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -58.74 -51.87 68.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.608 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.76 -35.75 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.92 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 10.2 p -61.11 -51.14 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -69.85 -39.15 76.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -62.62 -57.32 11.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.823 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.34 -12.6 51.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.46 30.67 44.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.1 mt -103.87 169.6 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.89 131.46 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -50.51 -41.12 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -69.72 -35.14 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.6 mt -68.27 -46.99 80.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.358 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -45.81 89.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.35 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 92.9 t90 -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.494 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.4 m-85 -64.02 -47.68 79.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.15 -39.8 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.89 -38.32 79.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.725 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -67.26 -36.14 80.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.156 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -43.66 68.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.61 -40.5 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.74 -43.51 83.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.81 -34.69 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.68 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.615 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.22 -49.78 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.5 mt -61.92 -37.03 83.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -62.73 -45.08 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -44.43 96.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -38.32 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.609 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 71.0 t80 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.48 -28.71 70.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -83.08 -32.7 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -156.78 125.69 5.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.431 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -73.15 -13.62 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.746 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -108.2 -172.05 1.98 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 6.8 mt -146.9 135.89 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -93.6 166.49 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.669 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -50.78 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.163 0.506 . . . . 0.0 110.078 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.75 -40.26 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.445 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -40.71 88.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.87 41.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.41 -31.99 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 1.5 mm-40 -67.13 -53.26 32.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.8 mt -64.21 -34.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 20.2 p -60.7 -51.58 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.569 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -42.98 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.744 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -62.61 -45.57 92.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.667 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.25 -56.72 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.8 44.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' SER . 2.0 mp -133.43 173.02 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.753 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.82 144.11 30.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.75 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.036 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.5 -43.18 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -67.48 -40.9 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.979 0.419 . . . . 0.0 110.323 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -58.76 -45.75 89.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.396 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 16.6 mt -65.31 -39.37 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.3 t90 -60.68 -46.7 89.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.7 m-85 -63.83 -47.13 82.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.33 -39.35 94.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.917 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 2.5 t-20 -67.64 -34.32 76.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.15 -43.32 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.661 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 CA--C 1.523 -0.077 0 CA-C-O 120.675 0.274 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.41 -36.6 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.395 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.23 -48.62 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -66.92 -32.0 72.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.778 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.3 mm? -63.7 -45.39 90.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.174 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.72 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.642 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -46.98 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.3 mt -60.05 -44.6 94.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -62.91 -34.25 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.495 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -63.67 -49.15 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -36.25 83.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -65.27 -35.77 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.819 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.0 -36.0 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -162.21 128.62 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -6.7 47.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.479 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -100.67 179.1 4.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 49' ' ' PHE . 7.6 mt -142.32 -175.19 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.153 0.501 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -154.79 166.84 32.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.692 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.09 -51.07 69.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 3.6 mmp_? -60.56 -35.51 76.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -47.3 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -43.06 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 2.2 pp0? -66.88 -35.27 79.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -67.07 -47.46 71.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -42.79 89.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.03 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.441 ' CA ' HD13 ' A' ' 45' ' ' ILE . 12.0 p -60.65 -47.22 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -71.12 -50.75 30.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.671 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.44 -42.82 98.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.197 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 mt -85.32 -43.87 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.334 . . . . 0.0 111.308 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.82 41.34 2.0 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.272 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.86 172.05 11.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -82.81 140.86 32.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.41 -39.9 61.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.95 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -39.87 78.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.394 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.441 HD13 ' CA ' ' A' ' 35' ' ' SER . 49.7 mt -66.62 -43.6 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.304 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.79 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 28.1 mt -62.49 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.773 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 83.5 t90 -60.62 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.443 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.07 -47.84 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.489 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.44 -42.34 98.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.007 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.08 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 9.7 tptt -66.15 -39.65 89.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.699 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.708 179.786 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.59 0.234 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -40.56 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.732 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.56 -47.46 86.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.141 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -66.83 -31.53 72.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.97 -47.42 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.708 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.95 81.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HB2' HD23 ' A' ' 38' ' ' LEU . 2.0 mmt85 -65.18 -43.27 92.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 18.9 mt -63.77 -45.98 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -62.05 -39.6 92.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -62.19 -45.33 93.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.79 -40.01 95.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 t80 -65.12 -39.04 92.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.54 -28.83 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -83.05 -39.11 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.22 110.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -73.14 -3.15 24.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.3 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -107.2 118.33 36.43 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 49' ' ' PHE . 9.3 mt -90.3 -177.94 5.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.372 0.606 . . . . 0.0 111.343 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -152.74 170.39 20.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.564 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.13 -51.16 68.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.139 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -60.47 -41.07 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.278 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.41 -42.87 82.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.481 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -49.66 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.339 . . . . 0.0 111.021 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -41.94 95.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -66.99 -43.97 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -64.36 -38.46 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.298 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 53.9 p -60.62 -51.11 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -69.52 -44.12 71.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.627 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.64 -41.87 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.799 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 7.7 mt -85.22 -58.81 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.2 42.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.192 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.3 mt -139.38 174.71 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.629 0.252 . . . . 0.0 110.75 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -82.87 142.32 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.16 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.52 87.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -42.77 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.4 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 35' ' ' SER . 8.7 mt -66.6 -41.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -58.82 -45.83 89.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.961 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.499 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 80.3 t90 -60.91 -50.69 72.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' A' ' 26' ' ' LEU . 2.2 m-85 -63.93 -43.42 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.562 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -41.48 98.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.738 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.74 -38.82 90.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 53' ' ' ARG . 20.4 mtm105 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.526 0.203 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -53.46 -37.17 62.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -49.02 75.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -66.71 -31.37 71.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 13' ' ' LEU . 2.8 mm? -62.45 -49.31 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.698 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.28 -47.59 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.5 mt -62.55 -42.62 99.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.56 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.97 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -46.26 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.576 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.35 -35.79 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 66.6 t80 -65.19 -38.88 91.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -62.49 -29.99 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.04 -39.94 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.87 119.66 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.15 -5.07 36.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.547 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -103.59 -175.99 2.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 30' ' ' ARG . 8.0 mt -144.33 179.18 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.22 0.533 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -146.84 167.23 24.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.495 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -51.07 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 0.0 110.192 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.77 -40.43 92.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.455 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HB3' HD21 ' A' ' 26' ' ' LEU . 1.1 tpt85 -68.58 -41.13 80.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -47.4 84.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.891 0.377 . . . . 0.0 110.775 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -39.97 86.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.9 -46.35 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.97 -42.68 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 p -60.7 -44.21 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -47.87 62.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.494 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.09 -49.26 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.901 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.17 -12.2 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.01 34.41 70.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.382 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.04 167.03 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.36 140.5 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -50.71 -42.31 56.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.17 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -69.5 -42.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -66.71 -42.83 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.32 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.94 88.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mt -65.84 -42.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.441 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 59.3 t90 -60.72 -45.06 95.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.12 -46.25 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.24 -39.39 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.58 -48.46 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -66.14 -29.09 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 t -53.4 -45.65 69.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.19 -38.18 90.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.782 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -66.8 -51.23 58.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.25 -33.02 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.275 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.52 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -49.17 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.657 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 mt -61.16 -41.5 96.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -62.98 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -41.62 94.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.539 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -41.74 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.65 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -64.25 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -32.41 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -83.05 -34.47 26.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.506 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -162.58 116.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 23.4 ptt-85 -73.21 3.42 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.851 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -97.48 170.75 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.28 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 30' ' ' ARG . 1.2 mt -148.91 122.03 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.377 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -93.56 165.71 12.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.0 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.18 -50.87 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 0.0 110.076 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -59.64 -35.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.29 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' HB3' HD22 ' A' ' 26' ' ' LEU . 16.1 mtt180 -70.09 -43.27 71.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.78 -50.22 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.47 83.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.203 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.93 -44.02 81.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -42.52 97.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -60.86 -51.41 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.891 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -68.93 -38.58 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.725 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.6 -47.72 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.362 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.32 -64.38 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.34 43.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.74 174.25 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -82.84 145.51 29.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.76 74.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.918 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.27 -40.96 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.71 -45.14 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.1 88.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.44 -41.4 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 84.0 t90 -60.73 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 0.0 110.573 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.7 m-85 -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -61.97 -43.09 99.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.577 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.73 -36.9 79.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -69.77 -39.18 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.329 179.507 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.719 0.295 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.3 t -53.42 -43.24 67.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.974 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -40.89 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -66.74 -53.13 36.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.502 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.88 -32.56 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.24 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.29 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.06 -50.88 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.307 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.3 mt -60.93 -34.15 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.345 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -46.49 88.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmt-85 -62.44 -42.71 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.57 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.17 -46.36 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 25.9 t80 -62.64 -37.94 88.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -32.52 73.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.724 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.12 -32.96 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.81 111.3 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 10.2 mtt85 -74.01 5.08 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.789 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.81 129.52 51.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.189 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 8.2 mt -93.77 179.11 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.414 0.626 . . . . 0.0 111.698 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -147.6 166.52 27.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.529 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -50.44 71.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.031 0.443 . . . . 0.0 110.31 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -41.6 93.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.485 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HB3' HD23 ' A' ' 26' ' ' LEU . 27.1 mtt85 -67.93 -42.79 80.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -47.26 82.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -67.5 -38.96 85.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.82 -49.21 66.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 9.0 mp -65.85 -38.33 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 p -60.72 -47.69 85.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -70.41 -54.1 13.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.58 -42.63 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.25 -39.47 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.681 0.277 . . . . 0.0 111.297 -179.138 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.38 46.47 1.99 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.65 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -132.29 160.45 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -77.42 141.2 39.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.692 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.03 -42.42 60.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.82 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -44.44 71.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.9 mt -65.35 -43.3 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 110.383 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -45.97 88.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.065 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.74 -39.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.767 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.7 t90 -62.57 -45.19 94.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.3 m-85 -63.95 -48.73 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.61 -40.87 96.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.647 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -67.78 -36.77 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -66.13 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.679 0.276 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -53.46 -42.34 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.32 -40.73 85.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.81 -45.8 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.44 -35.48 80.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.243 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.19 95.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.384 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -49.58 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 2.6 mt -61.34 -36.04 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.414 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -61.98 -46.11 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -61.39 -45.18 95.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.41 -40.53 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 21.5 t80 -62.33 -37.68 86.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.693 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.52 -27.61 69.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.97 -35.84 25.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.74 123.47 5.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.746 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -73.22 -3.99 30.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.686 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.2 m-85 -108.32 179.95 4.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.518 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 mt -145.77 126.4 14.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 111.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -93.52 164.6 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.924 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.51 -47.92 72.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 0.0 109.985 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -60.14 -40.62 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.469 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.31 -44.58 75.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.523 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -63.83 -47.54 80.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -39.26 85.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.95 -49.15 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -39.57 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -60.66 -47.11 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.76 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -68.95 -39.81 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.451 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.32 62.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.724 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.0 mt -85.22 -11.12 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.62 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 32.0 63.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -110.02 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -82.83 135.72 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.31 -42.04 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -41.95 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.3 mt -65.74 -42.45 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.237 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -58.82 -45.96 88.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.23 -39.94 87.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.1 t90 -61.69 -47.18 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.726 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.8 m-85 -63.86 -42.0 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.71 99.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -67.0 -40.99 87.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.758 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -67.59 -39.67 84.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.402 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.525 0.018 0 CA-C-O 120.87 0.367 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -53.44 -46.72 69.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.71 -40.25 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.448 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 65.4 mt-30 -66.76 -42.89 85.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.8 mt -66.56 -37.27 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.54 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.77 89.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.326 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.1 mt -63.3 -37.51 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.789 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 14.8 tttt -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -43.06 96.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.61 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.93 -44.87 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 22.3 t80 -64.93 -32.83 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -83.11 -34.53 26.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.59 109.14 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -73.09 2.06 7.85 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.924 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 18.9 m-85 -109.48 124.51 51.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 26' ' ' LEU . 10.0 mt -94.07 -177.28 4.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.342 0.591 . . . . 0.0 111.505 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -150.47 169.19 22.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.585 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.21 -50.89 69.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.1 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.516 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.17 -39.96 82.41 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -64.07 -54.54 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -35.22 79.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.91 -52.88 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -36.15 79.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.541 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.3 m -60.76 -49.52 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -70.82 -40.59 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.264 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.01 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.956 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 76.9 mt -85.25 -12.11 53.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.795 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.86 53.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.32 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.35 164.22 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.88 134.91 35.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.56 -36.74 35.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.43 -44.9 70.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mt -64.49 -42.78 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -58.77 -45.99 88.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.2 mt -65.68 -37.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.488 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.5 t90 -61.2 -46.98 88.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.88 -43.8 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -43.23 98.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.2 -42.11 93.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.38 -28.34 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HD3' ' CE1' ' A' ' 25' ' ' TYR . 3.4 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 CA--C 1.523 -0.071 0 CA-C-O 120.751 0.31 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -38.92 64.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 mt-30 -66.78 -31.9 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.709 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 13' ' ' LEU . 3.5 mm? -65.04 -42.71 94.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.168 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.79 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -47.08 86.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 9.7 mt -60.86 -44.43 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.393 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -61.31 -39.41 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -61.37 -45.93 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.31 -34.84 79.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.518 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 75.0 t80 -64.61 -40.02 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.399 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.78 -26.15 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.817 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -158.51 121.02 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -73.61 2.28 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -124.82 131.55 53.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' C ' HG22 ' A' ' 27' ' ' THR . 8.9 mt -95.76 -179.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.225 0.536 . . . . 0.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.481 HG22 ' C ' ' A' ' 26' ' ' LEU . 5.6 p -145.97 169.16 19.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.463 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -50.04 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.964 0.411 . . . . 0.0 110.244 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -58.85 -45.58 89.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -66.71 -41.72 87.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -52.56 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.69 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -51.99 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.663 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.96 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.68 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -38.32 77.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.47 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -58.62 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.882 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 10.8 mt -85.28 -13.69 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.847 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.21 41.32 39.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.359 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.73 170.81 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.443 ' HB2' ' HG3' ' A' ' 44' ' ' GLN . 5.6 m120 -82.86 133.05 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.48 -39.33 47.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.19 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 14.4 mt-30 -69.71 -36.4 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.85 -46.08 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.539 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mt -66.05 -37.15 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.442 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.8 t90 -60.57 -48.65 80.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.725 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CD1' HD13 ' A' ' 26' ' ' LEU . 1.9 m-85 -63.99 -45.25 89.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.4 -41.43 98.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.741 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -71.25 -31.58 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HE2' ' CZ2' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -67.42 -32.41 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.807 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.571 0.224 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -53.45 -38.11 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -49.3 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.76 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.762 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 13' ' ' LEU . 2.3 mm? -63.45 -49.02 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.268 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.89 99.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -63.41 -50.2 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 12.4 mt -60.68 -45.23 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.03 -38.28 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -44.29 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.342 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -68.7 -34.66 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.3 -35.6 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.807 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.9 -31.77 72.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.08 -33.64 26.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.453 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.36 122.04 4.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.546 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -73.09 -3.86 28.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -110.51 -170.62 1.68 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.751 0.31 . . . . 0.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 30' ' ' ARG . 4.1 mt -149.77 131.4 14.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 111.157 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.58 165.07 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -49.72 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.046 0.451 . . . . 0.0 110.194 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.87 -38.9 79.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.13 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HB3' HD23 ' A' ' 26' ' ' LEU . 1.7 tpm_? -69.74 -48.83 57.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.281 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -44.59 96.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.609 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 16.0 pt20 -67.45 -40.26 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.76 -45.39 78.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.61 -39.62 94.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 45' ' ' ILE . 19.8 p -60.66 -48.43 81.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.94 -48.32 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.701 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -42.48 93.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 5.8 mt -85.23 -21.33 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.47 31.81 40.11 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.339 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 171.47 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -82.24 139.67 34.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -39.49 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -42.09 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 35' ' ' SER . 5.2 mt -64.99 -44.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.431 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -45.6 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.58 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.997 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 61.8 t90 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.711 0.291 . . . . 0.0 110.628 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.4 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.4 m-85 -64.01 -47.6 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.15 96.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.747 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -70.57 -35.21 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -66.16 -39.54 89.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.717 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.766 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.639 0.257 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.48 -40.84 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.474 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -45.57 92.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 50.0 mt-30 -66.85 -31.55 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? -65.19 -50.1 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.612 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -46.45 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.6 mt -64.87 -42.05 95.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.04 -35.66 80.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.679 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -50.98 59.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -41.43 97.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 51.0 t80 -61.93 -41.56 98.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.59 -26.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -83.04 -37.81 23.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -158.95 119.48 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 mtp180 -73.17 0.43 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.721 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -116.57 136.29 53.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.786 0.327 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 30' ' ' ARG . 10.4 mt -99.9 179.53 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.31 0.576 . . . . 0.0 111.445 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.5 p -146.93 167.69 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.448 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -56.16 -48.07 77.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.03 0.443 . . . . 0.0 110.098 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -59.34 -46.53 88.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.335 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.589 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -66.93 -42.05 85.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.65 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -52.07 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.116 0.484 . . . . 0.0 110.734 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.296 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -66.94 -41.75 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.823 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -43.24 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.74 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.981 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -70.55 -40.87 73.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.95 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -54.14 16.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.987 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 41.9 mt -85.17 -15.98 41.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.675 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.33 45.22 19.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.436 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -124.65 170.71 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -82.81 140.4 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.73 -41.64 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.77 74.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -69.26 -44.84 71.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mt -65.94 -41.44 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.31 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -45.93 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.87 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 40.1 mt -66.98 -40.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 54.8 t90 -60.61 -44.94 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 1.3 m-85 -64.06 -48.31 76.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.29 -42.1 99.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -66.61 -37.21 84.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -36.56 83.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.647 179.696 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.71 0.29 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 t -53.4 -46.12 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.853 0.358 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -42.96 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.741 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -66.45 -52.27 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -61.59 -36.56 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.621 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.59 85.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -66.11 -44.91 82.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.513 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 2.0 mt -62.74 -39.47 94.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.709 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.0 -43.63 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.299 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -44.65 94.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.457 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.55 -37.97 88.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 63.2 t80 -63.01 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.744 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -28.62 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.456 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -83.01 -34.23 26.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -156.73 125.49 5.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -73.23 -9.26 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.55 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -112.15 -177.09 3.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.98 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 26' ' ' LEU . 7.7 mt -140.25 -175.22 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 p -149.26 164.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.755 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.19 -49.5 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.932 0.396 . . . . 0.0 110.394 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.329 179.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 ttm180 -67.82 -44.75 76.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.488 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' NE ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 ttp-105 -58.9 -50.85 72.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -40.51 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.518 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -66.9 -47.27 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.686 0.279 . . . . 0.0 110.869 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -60.33 -42.37 95.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.867 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 85.5 p -61.04 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -69.79 -38.18 76.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 1.4 tt0 -63.83 -54.14 39.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.6 mt -85.23 -28.83 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.661 0.267 . . . . 0.0 111.438 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.78 42.2 3.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.66 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.9 mt -121.73 171.99 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.622 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.8 134.19 35.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.782 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.15 -38.09 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.22 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -69.81 -41.9 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -66.96 -42.7 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.301 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HD3' ' NE ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -58.79 -45.86 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.7 -39.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 81.7 t90 -60.68 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.439 ' CD1' HD13 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.92 -46.82 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.27 -39.1 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.67 -39.74 70.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 1.5 tmtt? -66.18 -35.79 81.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.904 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.914 0.388 . . . . 0.0 110.675 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.674 0.273 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -53.32 -38.05 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.538 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.96 83.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.053 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.86 -31.62 71.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.919 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.26 -48.83 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.399 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.03 99.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.586 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 15.4 mt -63.58 -47.42 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -39.51 89.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.53 94.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.393 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.29 -37.9 86.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -65.2 -38.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -66.63 -33.05 74.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.01 -35.61 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.042 0.449 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -156.77 118.57 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 -73.12 -1.51 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -109.08 -179.42 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 110.664 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' CD1' ' A' ' 49' ' ' PHE . 3.8 mt -146.28 128.84 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -93.6 164.86 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.752 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.73 -46.19 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.089 0.471 . . . . 0.0 110.271 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' H ' ' HD2' ' A' ' 29' ' ' ARG . 5.5 mpt_? -62.39 -39.55 93.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.362 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -69.78 -39.74 76.45 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -62.78 -46.79 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.352 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.18 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -66.89 -50.07 63.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.12 -35.11 77.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.443 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -51.19 70.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.577 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -46.8 65.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.55 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.53 -41.98 96.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.104 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -85.26 -29.36 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.6 29.62 15.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.197 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -123.24 172.16 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -82.76 143.71 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.194 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HA ' HD11 ' A' ' 45' ' ' ILE . 7.2 mt-10 -51.18 -39.77 57.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.61 -46.78 68.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 42' ' ' GLU . 2.5 mp -64.51 -41.06 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.368 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -45.81 89.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.06 -39.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.438 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 68.4 t90 -60.68 -43.53 97.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 1.4 m-85 -64.21 -48.51 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.08 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -35.98 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -70.46 -47.02 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -66.49 -29.42 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 179.746 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -53.43 -40.1 64.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.993 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -42.3 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -66.81 -41.71 87.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -42.78 94.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.728 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.39 90.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.34 -42.65 87.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 7.4 mt -62.98 -43.23 99.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -41.63 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -61.06 -44.46 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.83 -38.59 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 64.4 t80 -64.99 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -29.31 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -82.98 -35.3 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -161.15 110.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 27.5 mtm180 -73.1 -2.18 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.891 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -113.32 123.84 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mt -90.2 -177.62 5.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.338 0.59 . . . . 0.0 111.612 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -151.0 171.09 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.575 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.15 -50.75 70.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.97 -45.71 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.514 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -37.18 84.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.823 0.344 . . . . 0.0 111.266 -179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NE ' ' HB3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -62.19 -54.5 40.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.87 72.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.041 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -50.64 61.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.45 -42.95 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -48.59 57.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.689 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.52 -42.51 99.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.8 mt -85.21 -52.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.214 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 39.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.149 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.07 178.21 5.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -82.82 140.05 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HB3' ' NE ' ' A' ' 31' ' ' ARG . 46.7 mt-10 -52.55 -41.14 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.74 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.798 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.21 -38.51 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.81 -46.38 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -45.87 88.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.052 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.21 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 77.0 t90 -60.55 -49.21 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.769 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.1 m-85 -63.91 -45.54 88.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.22 -40.03 84.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.564 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.12 -46.09 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.733 0.302 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -53.45 -45.06 69.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -37.68 84.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.75 -46.75 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.29 -35.11 80.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -46.45 88.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.334 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 2.2 mt -62.72 -35.96 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -45.55 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -61.83 -46.06 91.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.27 -37.87 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.62 -39.43 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -27.83 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -83.11 -33.64 26.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 116.95 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.265 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.19 -2.38 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.089 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.1 175.9 5.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.751 0.31 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mt -142.63 131.35 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 111.159 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -93.55 162.64 13.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.991 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.37 -47.27 72.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.171 0.51 . . . . 0.0 110.022 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -40.35 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.41 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.87 78.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -51.62 69.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -40.45 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -66.9 -41.14 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.735 0.303 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 2.2 mt -65.84 -40.54 91.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -60.72 -51.6 68.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -47.29 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -62.57 -45.36 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 14.6 mt -85.23 -42.89 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.238 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.43 32.22 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.204 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.14 165.01 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 2.6 t-20 -78.01 137.97 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -50.66 -39.37 50.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.76 81.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 35.5 mm-40 -69.4 -40.02 77.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mt -65.56 -44.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.393 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -46.16 88.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.685 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.8 -39.74 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.72 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.7 t90 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -65.81 -48.55 71.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.806 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -63.31 -36.58 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -41.76 79.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -43.7 84.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.932 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' HD21 ' A' ' 13' ' ' LEU . 13.6 p . . . . . 0 CA--C 1.522 -0.104 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -40.91 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.445 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.01 -45.32 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.035 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.73 -34.83 78.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.106 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 9' ' ' SER . 1.7 mm? -62.86 -48.41 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.291 179.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.3 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.28 79.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.518 179.637 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 28.0 mt -63.09 -45.02 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.799 179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -47.56 84.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.08 -31.48 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 81.4 t80 -63.02 -44.05 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.47 -27.1 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -82.95 -35.5 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 121.76 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 3.0 mtp180 -73.14 -5.28 38.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.634 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -109.58 -177.79 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 mt -146.78 129.28 15.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -93.51 166.81 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.054 179.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.42 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.093 0.473 . . . . 0.0 109.91 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.53 -39.34 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.369 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.553 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.49 -46.13 70.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.769 0.319 . . . . 0.0 111.122 -179.45 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -57.57 -48.63 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.379 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.47 -36.13 80.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.471 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -53.06 35.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -38.07 89.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.8 p -60.71 -49.8 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.54 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -69.59 -42.44 74.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.379 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.53 -52.5 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.785 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.19 -12.73 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.747 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.91 27.91 61.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -108.63 166.53 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -82.9 141.81 31.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -52.65 -39.0 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.91 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -44.43 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.368 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.99 -41.89 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.28 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -58.89 -45.74 89.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.709 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.87 -39.84 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.747 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.1 t90 -60.66 -46.27 90.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.468 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 26' ' ' LEU . 2.3 m-85 -65.99 -41.91 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.08 98.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -35.88 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -70.93 -42.91 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.653 0.263 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -46.73 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.62 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.425 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -66.65 -45.59 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -38.68 87.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.71 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -66.02 -52.07 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -61.25 -39.92 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.799 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -62.92 -44.18 96.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -60.17 -42.73 95.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -34.87 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.616 179.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -65.13 -38.89 92.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.45 -31.68 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.03 -34.38 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.19 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -156.77 116.27 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.546 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 mtt85 -73.18 -4.01 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.655 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.59 -178.19 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 26' ' ' LEU . 6.5 mt -145.09 176.99 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -146.51 165.02 30.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.07 -51.08 69.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -60.18 -36.4 77.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.133 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HB3' HD23 ' A' ' 26' ' ' LEU . 1.4 ttm180 -70.57 -48.23 56.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -59.2 -47.03 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.605 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -67.48 -35.3 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.91 -51.89 49.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.76 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.025 0.441 . . . . 0.0 110.273 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 -49.31 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -70.35 -46.45 64.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.643 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.56 -46.16 89.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.059 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.27 -50.15 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.329 . . . . 0.0 111.297 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.06 45.76 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.73 164.93 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.798 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -80.49 139.72 36.26 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -50.64 -36.86 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.108 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.02 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -69.36 -40.51 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.365 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mt -64.54 -43.5 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.091 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.86 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.762 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.5 mt -62.19 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 89.3 t90 -60.64 -48.13 83.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -64.0 -43.87 94.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.35 -42.06 98.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.76 -36.23 78.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 2.6 tttm -67.8 -29.75 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 179.936 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -53.39 -45.08 69.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.62 -38.52 87.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.8 -46.15 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mt -65.07 -35.59 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.4 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -44.9 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.9 mt -61.68 -38.89 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.534 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -63.03 -46.01 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.0 94.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.94 -37.67 79.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 41.7 t80 -63.57 -36.79 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.775 179.747 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.64 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.96 -34.05 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.15 118.93 3.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -73.09 -5.31 38.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.62 -176.17 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.603 0.239 . . . . 0.0 110.463 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 ' HB3' ' A' ' 30' ' ' ARG . 3.7 mt -148.71 129.93 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 111.48 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -93.59 166.83 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.981 178.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.11 -51.25 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.234 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -60.54 -36.71 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -46.14 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.02 0.438 . . . . 0.0 110.892 -179.761 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' CD ' ' HG3' ' A' ' 46' ' ' LYS . 21.9 ttp180 -61.46 -54.55 41.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.88 -40.11 87.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.85 -47.79 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.17 -35.39 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.161 179.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 45' ' ' ILE . 10.0 p -60.67 -51.45 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.399 179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -36.83 76.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.443 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.09 -49.19 65.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.06 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -85.19 -28.48 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.517 -179.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.28 33.92 6.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.1 mt -124.53 174.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.65 32.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.959 0.409 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.27 -41.75 60.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.66 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -68.88 -42.05 77.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 35' ' ' SER . 4.4 mt -66.12 -41.04 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.182 179.166 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -45.59 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.326 179.286 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 17.6 mt -63.18 -41.1 91.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 89.1 t90 -60.16 -47.62 85.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.2 m-85 -63.96 -45.92 86.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.36 97.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.582 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -70.23 -36.52 74.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.767 179.855 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -41.2 90.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.875 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.47 179.621 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.744 0.307 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -46.64 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.45 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.88 -45.6 77.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.307 179.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.39 90.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -46.51 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 179.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 1.4 mt -63.03 -39.23 94.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -46.67 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -38.15 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -39.98 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.659 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 28.5 t80 -62.31 -38.75 90.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -28.42 69.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.92 -38.36 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -157.25 103.78 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -73.16 -0.6 14.65 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.758 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 115.18 29.67 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.639 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 7.4 mt -90.36 174.08 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.295 0.569 . . . . 0.0 111.462 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 p -146.43 170.74 16.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.448 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.1 -51.1 69.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -60.43 -42.89 96.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.437 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -66.73 -39.68 88.05 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.085 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -63.43 -51.78 64.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 0.0 110.588 179.885 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -35.73 82.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.98 -49.29 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.674 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.04 -41.01 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -48.81 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -37.28 77.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.724 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -54.38 40.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.988 -179.099 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.3 -46.6 10.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.59 42.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.37 173.37 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.66 136.67 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -39.73 60.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.9 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -43.32 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -66.71 -41.21 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.407 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.5 tmtm? -58.73 -46.1 88.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.87 -37.79 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 82.6 t90 -60.63 -51.74 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.2 m-85 -63.92 -41.71 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -68.42 -41.37 80.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -68.23 -40.61 82.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.51 179.717 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.735 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.679 0.276 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.35 -41.18 65.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.13 -44.89 78.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.64 -43.21 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.536 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.6 mt -66.84 -35.6 80.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.6 85.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -64.19 -47.63 79.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.666 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.9 mt -61.87 -41.85 98.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.95 -40.94 99.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.522 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.72 88.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.327 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.28 -32.2 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 24' ' ' ARG . 76.6 t80 -65.23 -38.66 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.007 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -62.54 -31.35 72.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.0 -33.12 26.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.34 109.49 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.626 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 7.6 ptp180 -73.21 0.19 12.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.837 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 1.7 m-85 -101.07 -173.75 2.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.2 mt -149.69 -179.97 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.215 0.531 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 p -152.07 165.48 34.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.17 -51.15 69.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.394 . . . . 0.0 110.476 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.54 91.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.255 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -67.0 -43.31 83.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.617 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -60.6 -47.0 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -38.54 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -50.58 56.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.41 -37.27 86.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 60.5 p -60.68 -50.96 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.758 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.8 m -69.64 -46.06 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.635 -179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.26 -46.36 84.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.125 -178.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 38' ' ' LEU . 71.6 mt -85.21 -22.7 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.0 34.78 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.837 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.9 mt -124.7 164.61 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.618 0.246 . . . . 0.0 110.562 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -82.9 146.61 28.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.165 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -50.48 -38.53 44.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.325 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.97 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.381 -179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -44.74 70.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.665 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.6 mt -64.75 -42.36 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.44 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -46.0 88.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.67 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.4 t90 -60.66 -46.44 90.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 26' ' ' LEU . 2.7 m-85 -65.46 -43.4 90.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -41.36 98.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.89 -40.97 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 1.1 tptp -66.74 -32.34 73.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.782 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.864 0.364 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -101.63 30.77 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.26 -21.46 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -55.28 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -102.0 95.73 5.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.206 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.64 123.98 10.31 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.452 2.101 . . . . 0.0 112.151 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -175.39 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.35 51.12 2.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.943 0.402 . . . . 0.0 110.829 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.12 90.22 7.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' CD2' HD22 ' A' ' 40' ' ' LEU . 97.3 m-85 -120.39 174.5 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.949 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 p -107.73 159.05 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -53.42 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.26 -41.09 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.78 -46.69 74.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.66 -36.5 84.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.354 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.22 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.93 -48.58 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 6.0 mt -59.81 -41.05 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.618 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -39.11 93.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.176 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -61.13 -45.63 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.302 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -65.32 -39.23 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 67.3 t80 -64.94 -35.43 81.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -83.03 -34.25 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.513 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -160.73 127.29 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -73.12 -1.22 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.959 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.42 -175.8 2.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.79 0.329 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 49' ' ' PHE . 4.4 mt -149.16 134.37 18.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -93.62 161.92 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.008 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -49.77 68.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.469 . . . . 0.0 110.296 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.29 -40.48 86.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.458 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -67.33 -42.5 83.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -51.98 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.44 . . . . 0.0 110.751 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -36.28 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.519 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 mm-40 -66.87 -46.01 76.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.05 -43.72 97.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -47.71 85.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.999 0.428 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.9 t -70.39 -36.75 74.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.72 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.66 -56.06 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.24 -33.52 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.382 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.23 45.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.402 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 8' ' ' PHE . 6.2 mt -123.43 168.28 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -80.49 132.78 35.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.08 -35.56 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.08 86.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 41' ' ' ASN . 1.2 mt-30 -69.68 -41.83 74.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 mt -64.94 -44.96 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -58.74 -46.01 88.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.59 -37.09 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.652 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.0 t90 -60.65 -43.47 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD2' HD12 ' A' ' 26' ' ' LEU . 1.4 m-85 -68.85 -42.47 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.12 -39.18 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -37.98 71.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.0 tptt -66.72 -34.94 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.727 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -32.88 72.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -17.32 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.724 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.09 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.79 -58.94 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.21 105.2 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.835 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -94.6 -69.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.909 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.844 0.354 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.55 -71.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -123.94 -35.14 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.32 168.54 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -165.36 88.32 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.43 147.44 17.92 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.625 2.217 . . . . 0.0 112.531 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -165.69 123.76 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -138.07 162.39 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 113.53 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.6 -174.44 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 p -115.84 150.73 36.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.694 0.283 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -37.89 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.05 -46.74 87.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.108 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.47 -31.78 71.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.04 0.447 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 13' ' ' LEU . 2.2 mm? -64.64 -49.08 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.799 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.29 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -63.67 -43.77 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 5.3 mt -63.87 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.448 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -60.92 -37.16 81.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -47.11 84.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.02 -37.67 86.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 52.7 t80 -65.22 -38.91 91.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -29.03 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -83.02 -35.16 26.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -159.03 116.74 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.676 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 29.9 mtt180 -73.16 -5.87 42.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.784 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -103.59 177.14 4.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 26' ' ' LEU . 6.7 mt -141.43 -177.09 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.279 0.561 . . . . 0.0 111.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -154.82 165.9 35.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.755 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -51.31 68.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.02 -37.52 82.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.174 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -68.61 -44.99 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -61.83 -47.35 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.95 -41.24 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.05 -43.76 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.412 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -60.71 -45.8 92.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.91 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.539 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.21 -48.86 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.17 -26.63 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 111.47 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.51 34.56 8.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.062 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.52 172.07 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.039 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.83 140.79 32.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.1 -39.35 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -69.67 -41.26 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 35' ' ' SER . 4.3 mt -67.44 -42.47 87.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.72 -45.99 88.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.85 -38.46 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CZ2' ' HD2' ' A' ' 52' ' ' LYS . 78.9 t90 -61.59 -44.3 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.95 -50.3 69.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.76 98.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -67.5 -45.32 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -29.34 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.77 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.64 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -75.26 -57.94 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mp -69.76 -56.76 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 75.83 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 105.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -152.37 44.3 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -116.12 -38.42 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.97 -52.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -113.07 88.84 12.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.14 -26.03 14.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.154 . . . . 0.0 112.361 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -55.67 -73.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.9 t 176.48 150.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.818 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.63 133.34 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -81.31 -176.41 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 p -115.0 153.66 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -53.42 -38.13 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.38 -48.76 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.184 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -66.79 -31.64 72.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.929 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? -63.14 -50.02 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.288 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.784 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.93 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -64.18 -42.17 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.596 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -62.98 -40.94 99.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -45.51 93.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -68.47 -38.17 80.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 57.1 t80 -63.27 -37.81 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.53 -28.44 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.97 -37.79 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -156.8 124.17 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 6.7 mtm105 -73.16 -3.5 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.079 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -109.02 -172.91 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD11 ' CD1' ' A' ' 49' ' ' PHE . 5.8 mt -146.8 176.93 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 111.177 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -147.36 162.8 38.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -48.25 76.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.058 0.456 . . . . 0.0 110.387 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.098 179.465 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -50.29 44.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -57.46 -42.38 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 33' ' ' GLN . 6.6 pt20 -67.46 -39.22 85.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.982 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 4.3 mm100 -67.04 -51.98 48.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.58 -37.34 83.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -50.39 73.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -42.79 74.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.768 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.93 -49.14 69.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.14 -17.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.41 29.05 41.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.644 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.02 165.04 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.696 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.439 ' HB3' ' HG3' ' A' ' 44' ' ' GLN . 14.4 t-20 -82.07 141.7 32.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 111.099 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.02 -33.59 52.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.903 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG3' ' HB3' ' A' ' 41' ' ' ASN . 2.8 mt-30 -68.85 -42.63 76.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.2 mt -64.54 -43.54 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.91 88.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.44 -37.38 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 70.5 t90 -61.89 -50.34 72.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.435 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.3 m-85 -63.87 -41.91 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.593 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -43.05 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -34.44 70.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -66.29 -40.16 89.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 mtm105 -63.76 -37.15 86.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.13 68.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.597 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -81.3 -31.45 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.331 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.403 HG23 ' HA ' ' A' ' 53' ' ' ARG . 4.3 tt -87.92 -16.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.41 176.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -94.61 73.02 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.949 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -85.07 -71.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.95 117.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -133.91 8.81 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.413 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.38 83.84 10.59 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.702 0.287 . . . . 0.0 110.792 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.98 -53.84 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.523 2.149 . . . . 0.0 112.386 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -151.13 143.2 24.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -122.87 164.38 18.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 101.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -84.19 170.62 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -121.59 154.11 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.38 -39.98 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.26 -40.46 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.671 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.66 -34.09 77.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.541 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.49 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.52 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.7 mt -60.39 -40.6 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.663 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.88 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.487 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -41.65 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 53.1 t80 -63.1 -37.61 87.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.25 -29.95 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.08 -35.21 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.56 116.79 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' NH1' HG21 ' A' ' 56' ' ' ILE . 31.2 mtm180 -73.32 1.72 8.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.842 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -121.73 129.54 52.78 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.797 0.332 . . . . 0.0 110.359 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 10.7 mt -92.97 -177.76 4.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.392 0.615 . . . . 0.0 111.631 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -149.03 167.47 25.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.434 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.69 -50.86 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 0.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -39.62 87.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.379 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.23 -42.89 75.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.34 -179.307 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.79 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -66.95 -50.81 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.71 -36.9 84.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.72 76.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -68.9 -41.68 77.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.588 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -56.18 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.016 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.27 -9.93 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.718 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 38.04 70.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -111.84 168.83 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 132.65 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.781 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.92 -38.5 50.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.351 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.74 -39.05 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.665 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -65.76 -46.18 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.498 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -45.79 88.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.604 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mt -63.34 -37.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 84.8 t90 -64.18 -43.02 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.6 m-85 -67.82 -45.02 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -63.3 -38.46 91.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.77 -36.81 70.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 7.6 mptt -66.84 -31.83 72.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.51 -29.48 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.65 -27.08 68.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.215 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -75.04 -32.08 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.423 HG21 ' NH1' ' A' ' 24' ' ' ARG . 29.0 mm -60.34 -44.79 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 118.38 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 64.01 99.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.925 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.935 0.398 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -165.43 -47.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.91 29.52 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -69.08 138.56 54.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -107.33 90.23 5.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.46 157.06 53.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.563 2.175 . . . . 0.0 112.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ttp-105 -121.88 -50.16 2.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 85.26 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.16 102.92 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -134.42 179.03 6.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p -110.23 160.13 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.734 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -53.37 -46.14 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.85 -40.67 91.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.09 -45.52 80.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.54 -36.73 83.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.347 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.76 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.461 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -51.36 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.549 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 6.7 mt -59.94 -38.07 81.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.668 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -63.02 -43.67 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.8 93.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -40.41 93.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.528 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 74.0 t80 -65.26 -34.99 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.789 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.37 -29.93 70.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -83.07 -38.61 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.79 120.85 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 8.9 mtt85 -73.07 -2.48 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.94 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.36 130.44 55.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.312 . . . . 0.0 110.533 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 10.9 mt -99.32 -177.83 3.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.322 0.582 . . . . 0.0 111.482 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -148.22 167.22 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.325 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.66 -51.06 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.943 0.401 . . . . 0.0 110.195 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -37.3 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.976 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.84 62.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.212 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -58.74 -51.87 68.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.608 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.76 -35.75 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.92 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 10.2 p -61.11 -51.14 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -69.85 -39.15 76.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -62.62 -57.32 11.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.823 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.34 -12.6 51.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.46 30.67 44.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.1 mt -103.87 169.6 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.89 131.46 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -50.51 -41.12 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -69.72 -35.14 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.6 mt -68.27 -46.99 80.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.358 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -45.81 89.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.35 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 92.9 t90 -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.494 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.4 m-85 -64.02 -47.68 79.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.15 -39.8 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.89 -38.32 79.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.725 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 4.2 tptt -67.26 -36.14 80.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -35.09 79.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.156 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.15 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.61 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -79.66 5.26 13.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.821 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 52' ' ' LYS . 35.3 mm -85.38 -71.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 93.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -59.16 148.57 31.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.888 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.809 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -80.14 144.6 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -131.99 145.87 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -76.57 141.75 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.08 154.29 70.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.97 135.32 58.27 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.191 . . . . 0.0 112.231 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -155.45 -44.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -173.06 144.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.84 127.59 43.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 40' ' ' LEU . 7.5 m-85 -108.58 172.51 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -115.42 158.67 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -43.66 68.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.61 -40.5 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.74 -43.51 83.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.81 -34.69 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.68 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.615 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.22 -49.78 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.5 mt -61.92 -37.03 83.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -62.73 -45.08 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -44.43 96.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -38.32 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.609 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 71.0 t80 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.48 -28.71 70.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -83.08 -32.7 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -156.78 125.69 5.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.431 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -73.15 -13.62 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.746 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -108.2 -172.05 1.98 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 6.8 mt -146.9 135.89 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -93.6 166.49 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.669 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -50.78 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.163 0.506 . . . . 0.0 110.078 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.75 -40.26 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.445 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -40.71 88.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.87 41.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.41 -31.99 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 1.5 mm-40 -67.13 -53.26 32.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.8 mt -64.21 -34.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 20.2 p -60.7 -51.58 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.569 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -42.98 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.744 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -62.61 -45.57 92.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.667 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.25 -56.72 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.8 44.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' SER . 2.0 mp -133.43 173.02 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.753 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.82 144.11 30.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.75 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.036 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.5 -43.18 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -67.48 -40.9 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.979 0.419 . . . . 0.0 110.323 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -58.76 -45.75 89.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.396 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 16.6 mt -65.31 -39.37 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.3 t90 -60.68 -46.7 89.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.7 m-85 -63.83 -47.13 82.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.33 -39.35 94.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.917 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 2.5 t-20 -67.64 -34.32 76.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.15 -43.32 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.661 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -30.46 68.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.644 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.532 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -6.29 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.545 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.2 mt -94.72 -68.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 84.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -128.66 145.77 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.824 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.75 0.31 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -114.74 -37.77 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.53 120.24 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.242 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -36.43 10.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.9 137.9 20.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.44 -176.11 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.397 2.065 . . . . 0.0 112.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -157.52 148.72 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' A' ' 8' ' ' PHE . 2.4 p -121.47 -77.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.7 83.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 40' ' ' LEU . 6.6 m-85 -127.17 -165.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -120.91 154.62 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.41 -36.6 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.395 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.23 -48.62 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -66.92 -32.0 72.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.778 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.3 mm? -63.7 -45.39 90.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.174 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.72 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.642 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -46.98 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.3 mt -60.05 -44.6 94.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -62.91 -34.25 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.495 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -63.67 -49.15 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -36.25 83.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -65.27 -35.77 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.819 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.0 -36.0 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -162.21 128.62 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -6.7 47.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.479 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -100.67 179.1 4.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 49' ' ' PHE . 7.6 mt -142.32 -175.19 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.153 0.501 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -154.79 166.84 32.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.692 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.09 -51.07 69.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 3.6 mmp_? -60.56 -35.51 76.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -47.3 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -43.06 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 2.2 pp0? -66.88 -35.27 79.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -67.07 -47.46 71.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -42.79 89.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.03 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.441 ' CA ' HD13 ' A' ' 45' ' ' ILE . 12.0 p -60.65 -47.22 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -71.12 -50.75 30.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.671 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.44 -42.82 98.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.197 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 mt -85.32 -43.87 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.334 . . . . 0.0 111.308 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.82 41.34 2.0 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.272 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' ' 8' ' ' PHE . 22.9 mt -128.86 172.05 11.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -82.81 140.86 32.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.41 -39.9 61.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.95 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -39.87 78.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.394 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.441 HD13 ' CA ' ' A' ' 35' ' ' SER . 49.7 mt -66.62 -43.6 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.304 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.79 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 28.1 mt -62.49 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.773 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 83.5 t90 -60.62 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.443 ' CD2' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.07 -47.84 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.489 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.44 -42.34 98.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.007 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.08 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 9.7 tptt -66.15 -39.65 89.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.699 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.87 -30.23 71.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.708 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -23.07 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -74.09 -41.96 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.787 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.07 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.71 100.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 128.4 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 12.7 ttm . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.96 -71.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.72 157.62 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -149.36 -43.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.53 69.61 60.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.93 -168.68 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.538 2.159 . . . . 0.0 112.249 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -133.1 -69.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.1 61.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.89 87.41 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -116.28 177.67 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 p -113.46 155.57 25.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -40.56 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.732 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.56 -47.46 86.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.141 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -66.83 -31.53 72.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.97 -47.42 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.708 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.95 81.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HB2' HD23 ' A' ' 38' ' ' LEU . 2.0 mmt85 -65.18 -43.27 92.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 18.9 mt -63.77 -45.98 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -62.05 -39.6 92.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -62.19 -45.33 93.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.79 -40.01 95.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 t80 -65.12 -39.04 92.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.54 -28.83 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -83.05 -39.11 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.22 110.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -73.14 -3.15 24.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.3 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -107.2 118.33 36.43 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 49' ' ' PHE . 9.3 mt -90.3 -177.94 5.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.372 0.606 . . . . 0.0 111.343 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -152.74 170.39 20.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.564 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.13 -51.16 68.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.139 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -60.47 -41.07 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.278 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.41 -42.87 82.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.481 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -49.66 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.339 . . . . 0.0 111.021 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -41.94 95.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -66.99 -43.97 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -64.36 -38.46 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.298 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 53.9 p -60.62 -51.11 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -69.52 -44.12 71.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.627 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.64 -41.87 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.799 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 7.7 mt -85.22 -58.81 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.2 42.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.192 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.3 mt -139.38 174.71 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.629 0.252 . . . . 0.0 110.75 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -82.87 142.32 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.16 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.52 87.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -42.77 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.4 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 35' ' ' SER . 8.7 mt -66.6 -41.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -58.82 -45.83 89.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.961 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.499 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 80.3 t90 -60.91 -50.69 72.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' A' ' 26' ' ' LEU . 2.2 m-85 -63.93 -43.42 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.562 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -41.48 98.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.738 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.74 -38.82 90.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 53' ' ' ARG . 20.4 mtm105 -67.34 -44.89 77.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.58 -14.93 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.325 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -41.55 61.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -81.64 -58.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -93.75 118.1 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 96.85 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.938 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.845 0.355 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -147.39 106.24 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 85.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -67.58 -178.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.285 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 161.53 59.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.17 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.74 -16.56 53.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.569 2.179 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.22 92.17 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.776 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -144.64 175.37 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.957 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.97 128.19 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 9.5 m-85 -79.81 -158.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.718 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.7 p -102.93 153.86 19.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.526 0.203 . . . . 0.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -53.46 -37.17 62.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -49.02 75.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' OE1' ' HB3' ' A' ' 8' ' ' PHE . 61.2 mt-30 -66.71 -31.37 71.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 8' ' ' PHE . 2.8 mm? -62.45 -49.31 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.698 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.28 -47.59 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.5 mt -62.55 -42.62 99.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.56 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.97 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -46.26 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.576 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.35 -35.79 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 66.6 t80 -65.19 -38.88 91.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -62.49 -29.99 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.04 -39.94 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.87 119.66 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.15 -5.07 36.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.547 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -103.59 -175.99 2.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 30' ' ' ARG . 8.0 mt -144.33 179.18 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.22 0.533 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -146.84 167.23 24.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.495 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -51.07 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 0.0 110.192 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.77 -40.43 92.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.455 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HB3' HD21 ' A' ' 26' ' ' LEU . 1.1 tpt85 -68.58 -41.13 80.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -47.4 84.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.891 0.377 . . . . 0.0 110.775 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -39.97 86.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.9 -46.35 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.97 -42.68 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 p -60.7 -44.21 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -47.87 62.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.494 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.09 -49.26 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.901 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.17 -12.2 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.01 34.41 70.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.382 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.04 167.03 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.36 140.5 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -50.71 -42.31 56.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.17 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -69.5 -42.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -66.71 -42.83 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.32 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.94 88.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mt -65.84 -42.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.441 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 59.3 t90 -60.72 -45.06 95.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.12 -46.25 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.24 -39.39 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.58 -48.46 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -66.14 -29.09 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -43.34 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.14 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -43.0 39.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.234 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -64.2 -36.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' N ' HG22 ' A' ' 56' ' ' ILE . 6.7 ttmt 61.71 148.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -125.26 151.55 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.759 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.94 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.813 0.339 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.48 157.11 17.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -141.8 95.88 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -165.67 -173.48 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 123.3 87.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.789 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.56 -174.48 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.399 2.066 . . . . 0.0 112.251 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.12 -172.65 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 t -66.03 -14.16 61.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.437 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 72.98 145.95 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.692 0.282 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.67 151.54 42.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -102.48 159.73 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 t -53.4 -45.65 69.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.19 -38.18 90.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.782 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -66.8 -51.23 58.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.25 -33.02 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.275 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.52 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -49.17 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.657 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 1.1 mt -61.16 -41.5 96.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -62.98 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -41.62 94.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.539 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -41.74 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.65 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -64.25 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -32.41 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -83.05 -34.47 26.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.506 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -162.58 116.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 23.4 ptt-85 -73.21 3.42 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.851 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -97.48 170.75 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.28 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 30' ' ' ARG . 1.2 mt -148.91 122.03 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.377 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -93.56 165.71 12.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.0 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.18 -50.87 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 0.0 110.076 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -59.64 -35.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.29 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' HB3' HD22 ' A' ' 26' ' ' LEU . 16.1 mtt180 -70.09 -43.27 71.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.78 -50.22 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.47 83.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.203 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.93 -44.02 81.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -42.52 97.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -60.86 -51.41 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.891 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -68.93 -38.58 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.725 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.6 -47.72 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.362 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.32 -64.38 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.34 43.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.74 174.25 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -82.84 145.51 29.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.76 74.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.918 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.27 -40.96 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.71 -45.14 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.1 88.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.44 -41.4 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 84.0 t90 -60.73 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 0.0 110.573 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.7 m-85 -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -61.97 -43.09 99.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.577 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.73 -36.9 79.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -69.77 -39.18 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.329 179.507 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -64.6 -43.37 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -11.28 60.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.726 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -26.47 60.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.698 0.285 . . . . 0.0 110.984 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.4 mp -104.09 -45.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.04 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 125.82 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.57 168.15 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.947 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.808 0.337 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -59.97 131.78 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -93.55 46.13 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 59.18 177.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 61.79 74.33 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.12 -24.76 26.78 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.643 2.228 . . . . 0.0 112.083 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -157.57 141.75 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.8 t 45.52 -167.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.472 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.01 98.84 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.023 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -69.99 159.51 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -110.55 160.89 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.3 t -53.42 -43.24 67.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.974 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -40.89 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -66.74 -53.13 36.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.502 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.88 -32.56 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.24 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.29 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.06 -50.88 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.307 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.3 mt -60.93 -34.15 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.345 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -46.49 88.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmt-85 -62.44 -42.71 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.57 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.17 -46.36 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 25.9 t80 -62.64 -37.94 88.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -32.52 73.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.724 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.12 -32.96 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.81 111.3 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 10.2 mtt85 -74.01 5.08 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.789 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.81 129.52 51.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.189 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 8.2 mt -93.77 179.11 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.414 0.626 . . . . 0.0 111.698 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -147.6 166.52 27.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.529 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -50.44 71.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.031 0.443 . . . . 0.0 110.31 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -41.6 93.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.485 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HB3' HD23 ' A' ' 26' ' ' LEU . 27.1 mtt85 -67.93 -42.79 80.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -47.26 82.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -67.5 -38.96 85.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.82 -49.21 66.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 9.0 mp -65.85 -38.33 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 p -60.72 -47.69 85.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -70.41 -54.1 13.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.58 -42.63 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.25 -39.47 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.681 0.277 . . . . 0.0 111.297 -179.138 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.38 46.47 1.99 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.65 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -132.29 160.45 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -77.42 141.2 39.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.692 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.03 -42.42 60.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.82 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -44.44 71.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.9 mt -65.35 -43.3 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 110.383 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -45.97 88.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.065 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.74 -39.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.767 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.7 t90 -62.57 -45.19 94.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.3 m-85 -63.95 -48.73 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.61 -40.87 96.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.647 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 7.4 m120 -67.78 -36.77 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -66.13 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 35.7 ttt-85 -64.85 -35.73 82.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.89 -25.97 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.401 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 6.6 mmpt? -79.74 -2.76 44.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.553 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 53' ' ' ARG . 46.7 mt -76.43 -72.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.719 0.295 . . . . 0.0 111.39 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.68 -170.08 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -99.24 23.16 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.75 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.844 0.354 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -135.17 119.84 18.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.8 101.92 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -83.56 -41.86 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -172.31 55.27 0.21 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.83 -167.39 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.454 2.102 . . . . 0.0 112.212 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.46 -158.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.493 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 t -104.92 -34.27 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 111.056 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.55 81.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.67 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.34 157.5 26.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.209 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -106.15 160.49 15.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -53.46 -42.34 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.32 -40.73 85.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.81 -45.8 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.44 -35.48 80.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.243 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.19 95.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.384 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -49.58 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 2.6 mt -61.34 -36.04 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.414 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -61.98 -46.11 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -61.39 -45.18 95.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.41 -40.53 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 21.5 t80 -62.33 -37.68 86.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.693 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.52 -27.61 69.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.97 -35.84 25.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.74 123.47 5.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.746 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -73.22 -3.99 30.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.686 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.2 m-85 -108.32 179.95 4.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.518 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 mt -145.77 126.4 14.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 111.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -93.52 164.6 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.924 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.51 -47.92 72.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 0.0 109.985 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -60.14 -40.62 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.469 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.31 -44.58 75.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.523 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -63.83 -47.54 80.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -39.26 85.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.95 -49.15 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -39.57 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -60.66 -47.11 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.76 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -68.95 -39.81 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.451 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.32 62.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.724 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.0 mt -85.22 -11.12 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.62 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 32.0 63.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -110.02 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -82.83 135.72 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.31 -42.04 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -41.95 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.3 mt -65.74 -42.45 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.237 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -58.82 -45.96 88.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.23 -39.94 87.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.1 t90 -61.69 -47.18 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.726 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.8 m-85 -63.86 -42.0 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.71 99.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -67.0 -40.99 87.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.758 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -67.59 -39.67 84.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -18.45 64.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.402 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.88 -21.09 63.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.585 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 -46.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.645 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 52' ' ' LYS . 2.6 mt 79.34 -60.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 126.71 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.8 149.26 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 90.54 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 62.13 149.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.05 165.36 19.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 67.48 90.57 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 151.51 50.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.474 2.116 . . . . 0.0 112.102 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.64 38.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.1 p -135.54 -67.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.93 60.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.117 0.484 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -113.09 161.61 16.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -114.18 161.1 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -53.44 -46.72 69.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.71 -40.25 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.448 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 65.4 mt-30 -66.76 -42.89 85.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.8 mt -66.56 -37.27 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.54 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.77 89.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.326 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.1 mt -63.3 -37.51 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.789 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 14.8 tttt -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -43.06 96.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.61 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.93 -44.87 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 22.3 t80 -64.93 -32.83 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -83.11 -34.53 26.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.59 109.14 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -73.09 2.06 7.85 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.924 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 18.9 m-85 -109.48 124.51 51.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 26' ' ' LEU . 10.0 mt -94.07 -177.28 4.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.342 0.591 . . . . 0.0 111.505 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -150.47 169.19 22.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.585 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.21 -50.89 69.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.1 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.516 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.17 -39.96 82.41 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -64.07 -54.54 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -35.22 79.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.91 -52.88 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -36.15 79.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.541 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.3 m -60.76 -49.52 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -70.82 -40.59 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.264 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.01 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.956 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 76.9 mt -85.25 -12.11 53.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.795 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.86 53.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.32 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.35 164.22 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.88 134.91 35.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.56 -36.74 35.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.43 -44.9 70.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mt -64.49 -42.78 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -58.77 -45.99 88.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.2 mt -65.68 -37.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.488 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.5 t90 -61.2 -46.98 88.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.88 -43.8 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -43.23 98.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -65.2 -42.11 93.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.38 -28.34 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HD3' ' CE1' ' A' ' 25' ' ' TYR . 3.4 mtm180 -70.96 -34.85 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.17 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.536 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 5.9 mttm -74.0 -50.96 17.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.14 -41.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.71 -178.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -90.25 -50.11 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.5 ttp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.824 0.345 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -147.04 125.96 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -93.47 -31.36 14.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 149.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.268 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' HD2' ' HD2' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -124.48 143.66 43.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD2' ' HD2' ' A' ' 3' ' ' ARG . 55.8 Cg_exo -52.73 114.52 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.473 2.115 . . . . 0.0 112.358 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -140.9 97.17 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 108.68 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.53 98.75 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -124.65 -167.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.061 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.4 p -113.96 155.09 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -38.92 64.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 72.8 mt-30 -66.78 -31.9 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.709 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 13' ' ' LEU . 3.5 mm? -65.04 -42.71 94.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.168 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.79 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -47.08 86.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 9.7 mt -60.86 -44.43 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.393 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -61.31 -39.41 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -61.37 -45.93 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.31 -34.84 79.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.518 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 75.0 t80 -64.61 -40.02 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.399 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.78 -26.15 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.817 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -158.51 121.02 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -73.61 2.28 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -124.82 131.55 53.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' C ' HG22 ' A' ' 27' ' ' THR . 8.9 mt -95.76 -179.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.225 0.536 . . . . 0.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.481 HG22 ' C ' ' A' ' 26' ' ' LEU . 5.6 p -145.97 169.16 19.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.463 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -50.04 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.964 0.411 . . . . 0.0 110.244 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -58.85 -45.58 89.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -66.71 -41.72 87.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -52.56 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.69 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -51.99 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.663 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.96 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.68 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -38.32 77.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.47 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -58.62 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.882 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 10.8 mt -85.28 -13.69 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.847 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.21 41.32 39.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.359 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.73 170.81 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.443 ' HB2' ' HG3' ' A' ' 44' ' ' GLN . 5.6 m120 -82.86 133.05 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.48 -39.33 47.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.19 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 14.4 mt-30 -69.71 -36.4 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.85 -46.08 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.539 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mt -66.05 -37.15 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.442 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.8 t90 -60.57 -48.65 80.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.725 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CD1' HD13 ' A' ' 26' ' ' LEU . 1.9 m-85 -63.99 -45.25 89.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.4 -41.43 98.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.741 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -71.25 -31.58 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HE2' ' CZ2' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -67.42 -32.41 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.807 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -48.19 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.59 -21.13 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.392 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -73.95 -25.98 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mt -112.16 74.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -79.71 97.92 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 99.57 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.865 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.77 0.319 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.85 164.58 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.47 79.25 2.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -118.4 75.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 119.53 0.58 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.08 130.52 41.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.438 2.092 . . . . 0.0 112.168 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.38 33.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -136.78 21.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.08 112.9 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 31.2 m-85 -114.12 -160.9 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -108.28 155.66 20.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -53.45 -38.11 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -49.3 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.76 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.762 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 13' ' ' LEU . 2.3 mm? -63.45 -49.02 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.268 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.89 99.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -63.41 -50.2 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 12.4 mt -60.68 -45.23 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.03 -38.28 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -44.29 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.342 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -68.7 -34.66 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.3 -35.6 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.807 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.9 -31.77 72.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.08 -33.64 26.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.453 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.36 122.04 4.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.546 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -73.09 -3.86 28.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -110.51 -170.62 1.68 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.751 0.31 . . . . 0.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 30' ' ' ARG . 4.1 mt -149.77 131.4 14.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 111.157 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.58 165.07 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -49.72 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.046 0.451 . . . . 0.0 110.194 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.87 -38.9 79.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.13 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HB3' HD23 ' A' ' 26' ' ' LEU . 1.7 tpm_? -69.74 -48.83 57.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.281 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -44.59 96.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.609 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 16.0 pt20 -67.45 -40.26 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.76 -45.39 78.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.61 -39.62 94.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 45' ' ' ILE . 19.8 p -60.66 -48.43 81.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.94 -48.32 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.701 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -42.48 93.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 5.8 mt -85.23 -21.33 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.47 31.81 40.11 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.339 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 171.47 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -82.24 139.67 34.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -39.49 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -42.09 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 35' ' ' SER . 5.2 mt -64.99 -44.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.431 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -45.6 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.58 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.997 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 61.8 t90 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.711 0.291 . . . . 0.0 110.628 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.4 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.4 m-85 -64.01 -47.6 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.15 96.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.747 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -70.57 -35.21 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -66.16 -39.54 89.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.717 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -31.44 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.766 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.8 -17.79 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.368 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.05 -30.28 62.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 mt -76.17 -54.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -75.27 64.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.714 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -80.46 149.4 30.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.37 -176.4 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -77.13 -50.63 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -177.74 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.1 92.37 12.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.85 -49.08 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.462 2.108 . . . . 0.0 112.491 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.09 155.09 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.427 ' HB ' ' CE1' ' A' ' 8' ' ' PHE . 1.3 p -92.73 109.62 21.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.14 92.35 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' CE1' ' HB ' ' A' ' 6' ' ' THR . 85.8 m-85 -76.91 -174.16 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -120.59 158.54 27.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.48 -40.84 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.474 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -45.57 92.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 50.0 mt-30 -66.85 -31.55 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? -65.19 -50.1 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.612 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -46.45 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.6 mt -64.87 -42.05 95.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.04 -35.66 80.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.679 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -50.98 59.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -41.43 97.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 51.0 t80 -61.93 -41.56 98.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.59 -26.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -83.04 -37.81 23.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -158.95 119.48 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 mtp180 -73.17 0.43 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.721 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -116.57 136.29 53.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.786 0.327 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 30' ' ' ARG . 10.4 mt -99.9 179.53 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.31 0.576 . . . . 0.0 111.445 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.5 p -146.93 167.69 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.448 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -56.16 -48.07 77.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.03 0.443 . . . . 0.0 110.098 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -59.34 -46.53 88.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.335 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.589 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -66.93 -42.05 85.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.65 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -52.07 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.116 0.484 . . . . 0.0 110.734 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.296 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -66.94 -41.75 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.823 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -43.24 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.74 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.981 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -70.55 -40.87 73.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.95 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -54.14 16.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.987 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 41.9 mt -85.17 -15.98 41.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.675 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.33 45.22 19.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.436 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 mt -124.65 170.71 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -82.81 140.4 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.73 -41.64 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.77 74.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -69.26 -44.84 71.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mt -65.94 -41.44 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.31 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -45.93 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.87 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 40.1 mt -66.98 -40.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 54.8 t90 -60.61 -44.94 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 1.3 m-85 -64.06 -48.31 76.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.29 -42.1 99.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -66.61 -37.21 84.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -36.56 83.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.647 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.32 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.62 -20.94 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 52' ' ' LYS . 41.5 mt -66.66 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -85.09 56.35 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.79 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -94.09 -51.1 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.852 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 25.4 mtp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -158.78 109.36 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.14 -57.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.27 -170.96 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.59 154.19 83.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.18 -33.61 4.29 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.602 2.201 . . . . 0.0 112.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 63.9 134.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -65.94 109.07 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.81 119.53 35.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -84.91 -176.7 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -95.54 163.31 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.409 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 t -53.4 -46.12 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.853 0.358 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -42.96 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.741 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -66.45 -52.27 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -61.59 -36.56 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.621 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.59 85.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -66.11 -44.91 82.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.513 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 2.0 mt -62.74 -39.47 94.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.709 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.0 -43.63 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.299 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -44.65 94.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.457 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.55 -37.97 88.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 63.2 t80 -63.01 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.744 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -28.62 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.456 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -83.01 -34.23 26.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -156.73 125.49 5.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -73.23 -9.26 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.55 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -112.15 -177.09 3.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.98 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 26' ' ' LEU . 7.7 mt -140.25 -175.22 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 p -149.26 164.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.755 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.19 -49.5 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.932 0.396 . . . . 0.0 110.394 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.329 179.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 3.6 ttm180 -67.82 -44.75 76.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.488 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' NE ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 ttp-105 -58.9 -50.85 72.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -40.51 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.518 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -66.9 -47.27 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.686 0.279 . . . . 0.0 110.869 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -60.33 -42.37 95.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.867 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 85.5 p -61.04 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -69.79 -38.18 76.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 1.4 tt0 -63.83 -54.14 39.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.6 mt -85.23 -28.83 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.661 0.267 . . . . 0.0 111.438 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.78 42.2 3.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.66 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.9 mt -121.73 171.99 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.622 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.8 134.19 35.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.782 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.15 -38.09 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.22 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -69.81 -41.9 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 mt -66.96 -42.7 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.301 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HD3' ' NE ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -58.79 -45.86 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.7 -39.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 81.7 t90 -60.68 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.439 ' CD1' HD13 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.92 -46.82 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.27 -39.1 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.67 -39.74 70.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 1.5 tmtt? -66.18 -35.79 81.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.904 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.438 ' HA ' HG22 ' A' ' 56' ' ' ILE . 53.3 ttp85 -71.02 -35.82 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.914 0.388 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.86 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.478 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.44 -41.12 25.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.438 HG22 ' HA ' ' A' ' 53' ' ' ARG . 1.1 tt -63.1 -17.03 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.423 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 mttm 65.09 178.96 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -131.58 -41.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.853 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.831 0.348 . . . . 0.0 111.391 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.42 37.75 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.26 164.47 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 174.3 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 62.62 61.72 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 23.9 Cg_exo -63.72 177.99 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.565 2.177 . . . . 0.0 112.144 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 32.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 34.73 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.707 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.18 86.26 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.8 -179.28 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 p -117.19 151.47 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.547 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -53.32 -38.05 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.538 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.96 83.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.053 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.86 -31.62 71.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.919 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.26 -48.83 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.399 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.03 99.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.586 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 15.4 mt -63.58 -47.42 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -39.51 89.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.53 94.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.393 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.29 -37.9 86.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -65.2 -38.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -66.63 -33.05 74.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.01 -35.61 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.042 0.449 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -156.77 118.57 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 -73.12 -1.51 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -109.08 -179.42 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 110.664 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' CD1' ' A' ' 49' ' ' PHE . 3.8 mt -146.28 128.84 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -93.6 164.86 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.752 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.73 -46.19 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.089 0.471 . . . . 0.0 110.271 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' H ' ' HD2' ' A' ' 29' ' ' ARG . 5.5 mpt_? -62.39 -39.55 93.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.362 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -69.78 -39.74 76.45 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -62.78 -46.79 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.352 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.18 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -66.89 -50.07 63.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.12 -35.11 77.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.443 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -51.19 70.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.577 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -46.8 65.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.55 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.53 -41.98 96.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.104 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -85.26 -29.36 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.6 29.62 15.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.197 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -123.24 172.16 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -82.76 143.71 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.194 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HA ' HD11 ' A' ' 45' ' ' ILE . 7.2 mt-10 -51.18 -39.77 57.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.61 -46.78 68.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 42' ' ' GLU . 2.5 mp -64.51 -41.06 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.368 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -45.81 89.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.06 -39.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.438 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 68.4 t90 -60.68 -43.53 97.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 1.4 m-85 -64.21 -48.51 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.08 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -35.98 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -70.46 -47.02 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 3.8 tptp -66.49 -29.42 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -71.11 -36.46 72.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.85 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 19.9 mtmt -74.8 -28.09 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.08 83.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -100.23 141.24 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 mttp 54.89 69.67 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.925 0.393 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.08 -66.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -118.33 113.28 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 27.27 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.04 68.7 0.49 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 117.28 5.01 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.529 2.153 . . . . 0.0 112.194 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -177.35 153.51 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -98.52 133.61 42.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.735 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.56 99.04 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.423 ' CE1' ' HB ' ' A' ' 6' ' ' THR . 49.2 m-85 -86.05 -175.47 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p -118.52 158.05 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -53.43 -40.1 64.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.993 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -42.3 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -66.81 -41.71 87.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -42.78 94.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.728 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.39 90.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.34 -42.65 87.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 7.4 mt -62.98 -43.23 99.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -41.63 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -61.06 -44.46 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.83 -38.59 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 64.4 t80 -64.99 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -29.31 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -82.98 -35.3 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -161.15 110.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 27.5 mtm180 -73.1 -2.18 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.891 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -113.32 123.84 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mt -90.2 -177.62 5.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.338 0.59 . . . . 0.0 111.612 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -151.0 171.09 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.575 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.15 -50.75 70.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.97 -45.71 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.514 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -37.18 84.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.823 0.344 . . . . 0.0 111.266 -179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NE ' ' HB3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -62.19 -54.5 40.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.87 72.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.041 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -50.64 61.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.45 -42.95 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -48.59 57.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.689 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.52 -42.51 99.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.8 mt -85.21 -52.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.214 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 39.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.149 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.07 178.21 5.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -82.82 140.05 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HB3' ' NE ' ' A' ' 31' ' ' ARG . 46.7 mt-10 -52.55 -41.14 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.74 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.798 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.21 -38.51 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.81 -46.38 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -45.87 88.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.052 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.21 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 77.0 t90 -60.55 -49.21 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.769 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.1 m-85 -63.91 -45.54 88.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.22 -40.03 84.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.564 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.12 -46.09 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -33.0 74.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.97 -24.38 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.41 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -74.02 -37.02 64.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.11 -41.31 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 138.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -59.06 159.06 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.914 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.49 178.83 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -149.2 35.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -118.26 110.5 17.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 114.18 59.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.96 -159.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.49 2.126 . . . . 0.0 112.072 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.42 175.09 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.2 p -84.7 -47.29 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.447 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.87 46.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 111.372 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -110.46 141.78 43.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.935 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 p -101.87 160.27 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.754 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -53.45 -45.06 69.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -37.68 84.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.75 -46.75 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.29 -35.11 80.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -46.45 88.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.334 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 2.2 mt -62.72 -35.96 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -45.55 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -61.83 -46.06 91.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.27 -37.87 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -64.62 -39.43 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -27.83 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -83.11 -33.64 26.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 116.95 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.265 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.19 -2.38 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.089 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.1 175.9 5.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.751 0.31 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mt -142.63 131.35 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 111.159 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -93.55 162.64 13.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.991 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.37 -47.27 72.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.171 0.51 . . . . 0.0 110.022 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -40.35 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.41 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.87 78.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -51.62 69.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -40.45 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -66.9 -41.14 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.735 0.303 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 2.2 mt -65.84 -40.54 91.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -60.72 -51.6 68.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -47.29 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -62.57 -45.36 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 14.6 mt -85.23 -42.89 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.238 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.43 32.22 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.204 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.14 165.01 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 2.6 t-20 -78.01 137.97 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -50.66 -39.37 50.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.76 81.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 35.5 mm-40 -69.4 -40.02 77.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mt -65.56 -44.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.393 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -46.16 88.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.685 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.8 -39.74 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.72 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.7 t90 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -65.81 -48.55 71.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.806 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -63.31 -36.58 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -41.76 79.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -43.7 84.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.18 -37.15 78.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.98 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -76.17 -8.76 57.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.375 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.34 -51.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -86.12 107.19 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.74 91.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.88 147.05 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.9 153.08 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -127.04 -41.39 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -71.17 134.42 85.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.8 178.02 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.388 2.059 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm105 -89.78 142.73 27.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 p -147.75 -71.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.48 46.11 15.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.064 0.459 . . . . 0.0 111.231 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -92.35 -166.82 1.62 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.041 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' HD21 ' A' ' 13' ' ' LEU . 13.6 p -124.86 155.99 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -40.91 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.445 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.01 -45.32 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.035 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.73 -34.83 78.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.106 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 9' ' ' SER . 1.7 mm? -62.86 -48.41 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.291 179.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.3 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.28 79.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.518 179.637 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 28.0 mt -63.09 -45.02 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.799 179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -47.56 84.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.08 -31.48 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 81.4 t80 -63.02 -44.05 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.47 -27.1 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -82.95 -35.5 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 121.76 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 3.0 mtp180 -73.14 -5.28 38.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.634 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -109.58 -177.79 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 mt -146.78 129.28 15.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -93.51 166.81 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.054 179.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.42 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.093 0.473 . . . . 0.0 109.91 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.53 -39.34 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.369 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.553 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.49 -46.13 70.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.769 0.319 . . . . 0.0 111.122 -179.45 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -57.57 -48.63 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.379 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.47 -36.13 80.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.471 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -53.06 35.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -38.07 89.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.8 p -60.71 -49.8 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.54 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -69.59 -42.44 74.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.379 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.53 -52.5 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.785 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.19 -12.73 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.747 -179.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.91 27.91 61.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -108.63 166.53 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -82.9 141.81 31.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -52.65 -39.0 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.91 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -44.43 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.368 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.99 -41.89 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.28 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -58.89 -45.74 89.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.709 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.87 -39.84 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.747 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.1 t90 -60.66 -46.27 90.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.468 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 26' ' ' LEU . 2.3 m-85 -65.99 -41.91 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.08 98.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -35.88 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -70.93 -42.91 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.59 -29.2 65.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -32.5 70.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.992 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -50.25 11.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tt -55.45 -26.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -56.36 145.33 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -46.98 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -144.38 153.19 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -166.91 150.4 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 -31.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -109.05 84.56 2.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.678 0.275 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -72.81 -76.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.393 2.062 . . . . 0.0 112.424 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.52 137.66 0.16 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.732 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 p 52.16 55.3 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.76 68.99 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.16 0.505 . . . . 0.0 110.971 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.62 170.81 10.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -110.64 160.79 16.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -46.73 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.62 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.425 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -66.65 -45.59 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -38.68 87.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.71 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -66.02 -52.07 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -61.25 -39.92 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.799 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -62.92 -44.18 96.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -60.17 -42.73 95.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -34.87 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.616 179.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -65.13 -38.89 92.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.45 -31.68 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.03 -34.38 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.19 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -156.77 116.27 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.546 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 mtt85 -73.18 -4.01 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.655 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.59 -178.19 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 26' ' ' LEU . 6.5 mt -145.09 176.99 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -146.51 165.02 30.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.07 -51.08 69.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -60.18 -36.4 77.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.133 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HB3' HD23 ' A' ' 26' ' ' LEU . 1.4 ttm180 -70.57 -48.23 56.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -59.2 -47.03 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.605 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -67.48 -35.3 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.91 -51.89 49.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.76 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.025 0.441 . . . . 0.0 110.273 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 -49.31 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -70.35 -46.45 64.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.643 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.56 -46.16 89.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.059 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.27 -50.15 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.329 . . . . 0.0 111.297 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.06 45.76 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.73 164.93 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.798 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -80.49 139.72 36.26 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -50.64 -36.86 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.108 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.02 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -69.36 -40.51 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.365 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mt -64.54 -43.5 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.091 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.86 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.762 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.5 mt -62.19 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 89.3 t90 -60.64 -48.13 83.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -64.0 -43.87 94.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.35 -42.06 98.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.76 -36.23 78.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 2.6 tttm -67.8 -29.75 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -69.23 -42.26 75.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.85 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -78.92 -25.71 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.431 HD13 ' CE1' ' A' ' 20' ' ' PHE . 39.9 mt -112.96 74.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -158.42 74.19 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.79 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -81.29 163.27 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.5 mtm . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.88 0.371 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.32 126.67 28.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.79 95.42 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -119.51 153.61 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.86 126.09 71.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.19 138.6 87.01 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.378 2.052 . . . . 0.0 112.162 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -171.1 161.03 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.83 124.45 29.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.325 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -99.23 -170.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -115.93 157.63 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -53.39 -45.08 69.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.62 -38.52 87.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.8 -46.15 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mt -65.07 -35.59 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.4 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -44.9 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.9 mt -61.68 -38.89 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.534 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -63.03 -46.01 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.0 94.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.94 -37.67 79.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 41.7 t80 -63.57 -36.79 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.775 179.747 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.64 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.96 -34.05 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.15 118.93 3.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -73.09 -5.31 38.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.62 -176.17 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.603 0.239 . . . . 0.0 110.463 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 ' HB3' ' A' ' 30' ' ' ARG . 3.7 mt -148.71 129.93 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 111.48 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -93.59 166.83 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.981 178.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.11 -51.25 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.234 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -60.54 -36.71 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -46.14 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.02 0.438 . . . . 0.0 110.892 -179.761 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' CD ' ' HG3' ' A' ' 46' ' ' LYS . 21.9 ttp180 -61.46 -54.55 41.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.88 -40.11 87.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.85 -47.79 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.17 -35.39 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.161 179.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 45' ' ' ILE . 10.0 p -60.67 -51.45 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.399 179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -36.83 76.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.443 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.09 -49.19 65.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.06 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -85.19 -28.48 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.517 -179.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.28 33.92 6.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.1 mt -124.53 174.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.65 32.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.959 0.409 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.27 -41.75 60.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.66 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -68.88 -42.05 77.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 35' ' ' SER . 4.4 mt -66.12 -41.04 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.182 179.166 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -45.59 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.326 179.286 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 17.6 mt -63.18 -41.1 91.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 89.1 t90 -60.16 -47.62 85.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.2 m-85 -63.96 -45.92 86.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.36 97.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.582 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -70.23 -36.52 74.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.767 179.855 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -41.2 90.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.875 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -64.75 -37.12 86.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.47 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.25 -20.93 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -74.19 -37.78 63.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.722 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 mt -85.51 -52.61 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 61.53 171.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -26.62 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.872 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.817 0.341 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.98 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.704 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -91.18 40.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.871 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -124.31 -60.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -125.09 101.83 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.97 -179.14 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.476 2.117 . . . . 0.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -29.96 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.108 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -178.78 124.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.35 103.61 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -85.28 167.4 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -108.1 160.96 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -46.64 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.45 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.88 -45.6 77.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.307 179.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.39 90.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -46.51 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 179.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 1.4 mt -63.03 -39.23 94.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -46.67 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -38.15 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -39.98 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.659 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 28.5 t80 -62.31 -38.75 90.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -28.42 69.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.92 -38.36 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -157.25 103.78 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -73.16 -0.6 14.65 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.758 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 115.18 29.67 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.639 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 7.4 mt -90.36 174.08 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.295 0.569 . . . . 0.0 111.462 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 p -146.43 170.74 16.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.448 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.1 -51.1 69.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -60.43 -42.89 96.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.437 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -66.73 -39.68 88.05 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.085 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -63.43 -51.78 64.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 0.0 110.588 179.885 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -35.73 82.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.98 -49.29 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.674 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.04 -41.01 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -48.81 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -37.28 77.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.724 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -54.38 40.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.988 -179.099 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.3 -46.6 10.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.59 42.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.37 173.37 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.66 136.67 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -39.73 60.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.9 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -43.32 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -66.71 -41.21 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.407 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.5 tmtm? -58.73 -46.1 88.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.87 -37.79 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 82.6 t90 -60.63 -51.74 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.2 m-85 -63.92 -41.71 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -68.42 -41.37 80.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -68.23 -40.61 82.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.51 179.717 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.735 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.97 -16.68 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.496 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -31.18 62.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.719 0.295 . . . . 0.0 111.011 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.5 -68.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.07 -175.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -112.79 166.51 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.925 -179.945 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -116.8 128.61 55.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.88 36.69 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -74.45 -43.65 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 100.38 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.07 141.46 11.76 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.601 2.2 . . . . 0.0 112.159 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.9 105.91 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -121.28 74.93 1.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.28 45.57 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.126 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -101.12 159.65 15.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.801 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 p -102.92 160.44 14.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.35 -41.18 65.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.13 -44.89 78.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.64 -43.21 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.536 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.6 mt -66.84 -35.6 80.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.6 85.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -64.19 -47.63 79.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.666 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.9 mt -61.87 -41.85 98.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.95 -40.94 99.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.522 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.72 88.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.327 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.28 -32.2 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 24' ' ' ARG . 76.6 t80 -65.23 -38.66 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.007 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -62.54 -31.35 72.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.0 -33.12 26.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.34 109.49 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.626 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 7.6 ptp180 -73.21 0.19 12.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.837 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 1.7 m-85 -101.07 -173.75 2.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.2 mt -149.69 -179.97 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.215 0.531 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 p -152.07 165.48 34.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.17 -51.15 69.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.394 . . . . 0.0 110.476 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.54 91.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.255 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -67.0 -43.31 83.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.617 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -60.6 -47.0 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -38.54 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -50.58 56.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.41 -37.27 86.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 60.5 p -60.68 -50.96 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.758 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.8 m -69.64 -46.06 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.635 -179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.26 -46.36 84.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.125 -178.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 38' ' ' LEU . 71.6 mt -85.21 -22.7 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.0 34.78 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.837 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.9 mt -124.7 164.61 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.618 0.246 . . . . 0.0 110.562 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -82.9 146.61 28.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.165 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -50.48 -38.53 44.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.325 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.97 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.381 -179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -44.74 70.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.665 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.6 mt -64.75 -42.36 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.44 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -46.0 88.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.67 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.4 t90 -60.66 -46.44 90.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 26' ' ' LEU . 2.7 m-85 -65.46 -43.4 90.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -41.36 98.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.89 -40.97 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 1.1 tptp -66.74 -32.34 73.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.782 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -36.85 83.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -11.76 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.459 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -74.08 -44.9 52.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.8 mp -88.06 -42.26 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -90.05 103.42 16.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.728 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -32.93 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.353 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.971 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.812 0.339 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -53.42 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.26 -41.09 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.539 ' CD ' HD11 ' A' ' 40' ' ' LEU . 81.0 mt-30 -66.78 -46.69 74.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.66 -36.5 84.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.354 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.22 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.93 -48.58 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' GLN . 6.0 mt -59.81 -41.05 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.618 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -39.11 93.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.176 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -61.13 -45.63 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.302 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -65.32 -39.23 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 67.3 t80 -64.94 -35.43 81.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -83.03 -34.25 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.513 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -160.73 127.29 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -73.12 -1.22 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.959 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.42 -175.8 2.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.79 0.329 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.4 mt -149.16 134.37 18.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -93.62 161.92 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.008 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -49.77 68.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.469 . . . . 0.0 110.296 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.29 -40.48 86.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.458 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -67.33 -42.5 83.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -51.98 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.44 . . . . 0.0 110.751 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -36.28 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.519 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 mm-40 -66.87 -46.01 76.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.05 -43.72 97.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -47.71 85.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.999 0.428 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.9 t -70.39 -36.75 74.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.72 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.66 -56.06 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.24 -33.52 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.382 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.23 45.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.402 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' CD ' ' A' ' 12' ' ' GLN . 6.2 mt -123.43 168.28 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -80.49 132.78 35.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 45' ' ' ILE . 37.9 mt-10 -52.08 -35.56 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.08 86.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HG3' ' CB ' ' A' ' 41' ' ' ASN . 1.2 mt-30 -69.68 -41.83 74.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.1 mt -64.94 -44.96 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -58.74 -46.01 88.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.59 -37.09 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.652 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.0 t90 -60.65 -43.47 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 1.4 m-85 -68.85 -42.47 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.12 -39.18 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -37.98 71.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.0 tptt -66.72 -34.94 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.727 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.519 ' O ' HD23 ' A' ' 13' ' ' LEU . 16.2 p . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.694 0.283 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -37.89 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.05 -46.74 87.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.108 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.7 mt-30 -68.47 -31.78 71.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.04 0.447 . . . . 0.0 109.911 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' SER . 2.2 mm? -64.64 -49.08 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.799 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.29 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 1.4 mtt-85 -63.67 -43.77 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.3 mt -63.87 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.448 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -60.92 -37.16 81.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -47.11 84.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.02 -37.67 86.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 52.7 t80 -65.22 -38.91 91.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -29.03 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -83.02 -35.16 26.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -159.03 116.74 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.676 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 29.9 mtt180 -73.16 -5.87 42.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.784 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -103.59 177.14 4.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.7 mt -141.43 -177.09 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.279 0.561 . . . . 0.0 111.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -154.82 165.9 35.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.755 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -51.31 68.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.02 -37.52 82.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.174 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB3' HD22 ' A' ' 26' ' ' LEU . 5.3 mmt-85 -68.61 -44.99 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NE ' ' HG3' ' A' ' 46' ' ' LYS . 7.4 ttm105 -61.83 -47.35 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.95 -41.24 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 38' ' ' LEU . 5.2 mt -66.05 -43.76 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -60.71 -45.8 92.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.91 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.539 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.21 -48.86 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 34' ' ' LEU . 18.2 mt -85.17 -26.63 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 111.47 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.51 34.56 8.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.062 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.52 172.07 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.039 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.83 140.79 32.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.3 mt-10 -52.1 -39.35 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -69.67 -41.26 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mt -67.44 -42.47 87.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -58.72 -45.99 88.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.85 -38.46 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 78.9 t90 -61.59 -44.3 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.95 -50.3 69.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.76 98.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -67.5 -45.32 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 13' ' ' LEU . 10.3 p . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.619 0.247 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -53.42 -38.13 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.38 -48.76 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.184 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 38' ' ' LEU . 33.9 mt-30 -66.79 -31.64 72.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.929 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -63.14 -50.02 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.288 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.784 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.93 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -64.18 -42.17 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.596 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -62.98 -40.94 99.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -45.51 93.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -68.47 -38.17 80.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 57.1 t80 -63.27 -37.81 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.53 -28.44 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.97 -37.79 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -156.8 124.17 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 6.7 mtm105 -73.16 -3.5 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.079 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -109.02 -172.91 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 31' ' ' ARG . 5.8 mt -146.8 176.93 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 111.177 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -147.36 162.8 38.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -48.25 76.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.058 0.456 . . . . 0.0 110.387 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.098 179.465 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -69.77 -50.29 44.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' HD13 ' A' ' 26' ' ' LEU . 2.7 ttm180 -57.46 -42.38 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' A' ' 33' ' ' GLN . 6.6 pt20 -67.46 -39.22 85.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.982 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 4.3 mm100 -67.04 -51.98 48.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.8 mt -61.58 -37.34 83.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -50.39 73.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -42.79 74.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.768 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.93 -49.14 69.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 12' ' ' GLN . 46.5 mt -85.14 -17.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.41 29.05 41.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.644 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD11 ' CD ' ' A' ' 12' ' ' GLN . 2.3 mt -114.02 165.04 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.486 ' HB3' ' HG3' ' A' ' 44' ' ' GLN . 14.4 t-20 -82.07 141.7 32.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 111.099 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.02 -33.59 52.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.903 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 41' ' ' ASN . 2.8 mt-30 -68.85 -42.63 76.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.532 HG22 HD11 ' A' ' 26' ' ' LEU . 21.2 mt -64.54 -43.54 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.91 88.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.44 -37.38 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 70.5 t90 -61.89 -50.34 72.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -63.87 -41.91 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.593 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -43.05 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -34.44 70.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 19.3 tptt -66.29 -40.16 89.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.38 -39.98 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.26 -40.46 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.671 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 40' ' ' LEU . 91.4 mt-30 -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.5 mt -63.66 -34.09 77.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.541 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.49 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.52 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 34' ' ' LEU . 4.7 mt -60.39 -40.6 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.663 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.88 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.487 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' OE1' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.06 -41.65 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 53.1 t80 -63.1 -37.61 87.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.25 -29.95 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.08 -35.21 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.56 116.79 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -73.32 1.72 8.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.842 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -121.73 129.54 52.78 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.797 0.332 . . . . 0.0 110.359 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.7 mt -92.97 -177.76 4.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.392 0.615 . . . . 0.0 111.631 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -149.03 167.47 25.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.434 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.69 -50.86 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 0.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -39.62 87.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.379 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.774 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.23 -42.89 75.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.34 -179.307 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.79 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -66.95 -50.81 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 16' ' ' LEU . 8.6 mp -65.71 -36.9 84.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -60.76 -49.72 76.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -68.9 -41.68 77.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.588 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -56.18 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.016 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 12' ' ' GLN . 79.9 mt -85.27 -9.93 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.718 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 38.04 70.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' CD ' ' A' ' 12' ' ' GLN . 4.8 mt -111.84 168.83 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 132.65 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.781 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 12.3 mt-10 -50.92 -38.5 50.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.351 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.74 -39.05 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.665 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 35' ' ' SER . 33.5 mt -65.76 -46.18 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.498 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -45.79 88.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.604 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 51' ' ' ASN . 33.2 mt -63.34 -37.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.504 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.8 t90 -64.18 -43.02 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.6 m-85 -67.82 -45.02 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -63.3 -38.46 91.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 47' ' ' ILE . 12.7 m120 -71.77 -36.81 70.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 7.6 mptt -66.84 -31.83 72.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.524 -0.02 0 CA-C-O 120.782 0.325 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -53.37 -46.14 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.85 -40.67 91.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.516 ' HB3' HD11 ' A' ' 40' ' ' LEU . 83.2 mt-30 -66.09 -45.52 80.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 13' ' ' LEU . 3.2 mt -66.54 -36.73 83.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.347 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.76 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.461 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.32 -51.36 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.549 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 34' ' ' LEU . 6.7 mt -59.94 -38.07 81.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.668 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -63.02 -43.67 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.8 93.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -40.41 93.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.528 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 74.0 t80 -65.26 -34.99 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.789 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.37 -29.93 70.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -83.07 -38.61 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.79 120.85 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 8.9 mtt85 -73.07 -2.48 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.94 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.36 130.44 55.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.312 . . . . 0.0 110.533 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.9 mt -99.32 -177.83 3.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.322 0.582 . . . . 0.0 111.482 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -148.22 167.22 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.325 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.66 -51.06 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.943 0.401 . . . . 0.0 110.195 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -37.3 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.976 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.752 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.36 -49.84 62.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.212 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -58.74 -51.87 68.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.608 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.76 -35.75 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.92 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.489 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.2 p -61.11 -51.14 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -69.85 -39.15 76.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -62.62 -57.32 11.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.823 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 15' ' ' ARG . 36.0 mt -85.34 -12.6 51.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.552 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.46 30.67 44.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 12' ' ' GLN . 8.1 mt -103.87 169.6 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -82.89 131.46 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.1 mp0 -50.51 -41.12 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 86.8 mm-40 -69.72 -35.14 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 42' ' ' GLU . 7.6 mt -68.27 -46.99 80.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.358 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -45.81 89.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.35 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 92.9 t90 -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.4 m-85 -64.02 -47.68 79.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.15 -39.8 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.89 -38.32 79.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.725 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 4.2 tptt -67.26 -36.14 80.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HG2' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.156 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -43.66 68.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.61 -40.5 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.74 -43.51 83.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD22 ' HE1' ' A' ' 48' ' ' TRP . 2.6 mt -66.81 -34.69 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.68 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.615 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.22 -49.78 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.5 mt -61.92 -37.03 83.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -62.73 -45.08 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -44.43 96.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -38.32 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.609 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 71.0 t80 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.48 -28.71 70.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -83.08 -32.7 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -156.78 125.69 5.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.431 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -73.15 -13.62 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.746 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -108.2 -172.05 1.98 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.8 mt -146.9 135.89 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -93.6 166.49 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.669 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -50.78 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.163 0.506 . . . . 0.0 110.078 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.75 -40.26 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.445 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -66.82 -40.71 88.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.561 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.87 41.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.41 -31.99 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 1.5 mm-40 -67.13 -53.26 32.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.8 mt -64.21 -34.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 45' ' ' ILE . 20.2 p -60.7 -51.58 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.569 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -42.98 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.744 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -62.61 -45.57 92.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.667 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.25 -56.72 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.8 44.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' SER . 2.0 mp -133.43 173.02 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.753 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.82 144.11 30.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' HA ' HD12 ' A' ' 45' ' ' ILE . 52.2 mt-10 -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.75 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.036 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.5 -43.18 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.6 mt -67.48 -40.9 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.979 0.419 . . . . 0.0 110.323 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -58.76 -45.75 89.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.396 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 16.6 mt -65.31 -39.37 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.3 t90 -60.68 -46.7 89.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.7 m-85 -63.83 -47.13 82.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.33 -39.35 94.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.917 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 2.5 t-20 -67.64 -34.32 76.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.15 -43.32 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.661 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.573 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.6 p . . . . . 0 CA--C 1.523 -0.077 0 CA-C-O 120.675 0.274 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.41 -36.6 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.395 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.23 -48.62 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' HD13 ' A' ' 38' ' ' LEU . 71.3 mt-30 -66.92 -32.0 72.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.778 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.7 -45.39 90.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.174 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.72 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.642 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -46.98 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.3 mt -60.05 -44.6 94.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 1.4 mtmm -62.91 -34.25 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -63.67 -49.15 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -36.25 83.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -65.27 -35.77 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.819 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.0 -36.0 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -162.21 128.62 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -6.7 47.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.479 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -100.67 179.1 4.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.6 mt -142.32 -175.19 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.153 0.501 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -154.79 166.84 32.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.692 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.09 -51.07 69.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 3.6 mmp_? -60.56 -35.51 76.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.804 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -71.99 -47.3 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -43.06 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 2.2 pp0? -66.88 -35.27 79.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -67.07 -47.46 71.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -65.86 -42.79 89.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.03 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.453 ' CA ' HD11 ' A' ' 45' ' ' ILE . 12.0 p -60.65 -47.22 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -71.12 -50.75 30.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.671 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.44 -42.82 98.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.197 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD11 HD23 ' A' ' 34' ' ' LEU . 55.5 mt -85.32 -43.87 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.334 . . . . 0.0 111.308 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.82 41.34 2.0 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.272 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.86 172.05 11.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -82.81 140.86 32.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.41 -39.9 61.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.95 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -39.87 78.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.394 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' CA ' ' A' ' 35' ' ' SER . 49.7 mt -66.62 -43.6 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.304 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.79 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 28.1 mt -62.49 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.773 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 83.5 t90 -60.62 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.07 -47.84 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.489 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.44 -42.34 98.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.007 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.08 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 9.7 tptt -66.15 -39.65 89.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.699 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.708 179.786 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.705 ' O ' HD23 ' A' ' 13' ' ' LEU . 21.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.59 0.234 . . . . 0.0 110.747 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -40.56 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.732 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.56 -47.46 86.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.141 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.445 ' HG2' HD22 ' A' ' 38' ' ' LEU . 54.7 mt-30 -66.83 -31.53 72.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 9' ' ' SER . 3.4 mm? -64.97 -47.42 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.708 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.95 81.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.5 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.0 mmt85 -65.18 -43.27 92.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 18.9 mt -63.77 -45.98 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -62.05 -39.6 92.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -62.19 -45.33 93.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.79 -40.01 95.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 t80 -65.12 -39.04 92.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.54 -28.83 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -83.05 -39.11 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.22 110.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -73.14 -3.15 24.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.3 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -107.2 118.33 36.43 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 30' ' ' ARG . 9.3 mt -90.3 -177.94 5.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.372 0.606 . . . . 0.0 111.343 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -152.74 170.39 20.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.564 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.13 -51.16 68.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.139 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -60.47 -41.07 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.278 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.804 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -67.41 -42.87 82.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.481 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -61.67 -49.66 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.339 . . . . 0.0 111.021 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -41.94 95.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -66.99 -43.97 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -64.36 -38.46 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.298 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.754 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.9 p -60.62 -51.11 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -69.52 -44.12 71.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.627 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.64 -41.87 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.799 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 15' ' ' ARG . 7.7 mt -85.22 -58.81 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.2 42.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.192 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.3 mt -139.38 174.71 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.629 0.252 . . . . 0.0 110.75 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.441 HD22 ' HB3' ' A' ' 43' ' ' ALA . 7.1 p-10 -82.87 142.32 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -51.52 -37.16 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -63.15 -37.52 87.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -42.77 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.4 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 35' ' ' SER . 8.7 mt -66.6 -41.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -58.82 -45.83 89.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.961 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 80.3 t90 -60.91 -50.69 72.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.2 m-85 -63.93 -43.42 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.562 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -41.48 98.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.738 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.74 -38.82 90.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 53' ' ' ARG . 20.4 mtm105 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.759 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.7 p . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.526 0.203 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -53.46 -37.17 62.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -49.02 75.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.526 ' O ' HD12 ' A' ' 16' ' ' LEU . 61.2 mt-30 -66.71 -31.37 71.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 9' ' ' SER . 2.8 mm? -62.45 -49.31 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.698 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.28 -47.59 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.5 mt -62.55 -42.62 99.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.56 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -40.97 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.677 179.642 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -46.26 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.576 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.35 -35.79 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 66.6 t80 -65.19 -38.88 91.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -62.49 -29.99 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.04 -39.94 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.87 119.66 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.15 -5.07 36.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.547 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -103.59 -175.99 2.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 45' ' ' ILE . 8.0 mt -144.33 179.18 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.22 0.533 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -146.84 167.23 24.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.495 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -51.07 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 0.0 110.192 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.77 -40.43 92.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.455 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.1 tpt85 -68.58 -41.13 80.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -47.4 84.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.891 0.377 . . . . 0.0 110.775 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -39.97 86.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.9 -46.35 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.97 -42.68 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.8 p -60.7 -44.21 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -47.87 62.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.494 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.09 -49.26 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.901 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.17 -12.2 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.01 34.41 70.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.382 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.04 167.03 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.36 140.5 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 45' ' ' ILE . 71.2 mt-10 -50.71 -42.31 56.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.17 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -69.5 -42.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 mt -66.71 -42.83 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.94 88.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mt -65.84 -42.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 59.3 t90 -60.72 -45.06 95.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.12 -46.25 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.24 -39.39 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.58 -48.46 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -66.14 -29.09 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 t -53.4 -45.65 69.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.19 -38.18 90.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.782 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 16' ' ' LEU . 71.9 mt-30 -66.8 -51.23 58.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.8 mt -62.25 -33.02 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.275 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.52 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.521 ' HD3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.07 -49.17 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.657 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.1 mt -61.16 -41.5 96.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -62.98 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -41.62 94.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.539 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -41.74 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.65 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -64.25 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -32.41 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -83.05 -34.47 26.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.506 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -162.58 116.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 23.4 ptt-85 -73.21 3.42 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.851 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -97.48 170.75 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.28 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 49' ' ' PHE . 1.2 mt -148.91 122.03 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.377 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -93.56 165.71 12.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.0 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.18 -50.87 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 0.0 110.076 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -59.64 -35.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.29 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HB3' HD22 ' A' ' 26' ' ' LEU . 16.1 mtt180 -70.09 -43.27 71.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.78 -50.22 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.47 83.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.203 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.93 -44.02 81.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.03 -42.52 97.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -60.86 -51.41 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.891 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -68.93 -38.58 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.725 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.6 -47.72 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.362 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 15' ' ' ARG . 32.2 mt -85.32 -64.38 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.34 43.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.74 174.25 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -82.84 145.51 29.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.76 74.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.918 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.27 -40.96 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.71 -45.14 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.1 88.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.44 -41.4 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.438 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.0 t90 -60.73 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 0.0 110.573 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.7 m-85 -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -61.97 -43.09 99.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.577 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.73 -36.9 79.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -69.77 -39.18 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.329 179.507 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.719 0.295 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 30.3 t -53.42 -43.24 67.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.974 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -40.89 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.748 ' HA ' HD21 ' A' ' 38' ' ' LEU . 95.3 mt-30 -66.74 -53.13 36.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.502 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' NE1' ' A' ' 48' ' ' TRP . 6.3 mt -62.88 -32.56 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.24 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -62.26 -47.29 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.587 ' HB3' HD11 ' A' ' 38' ' ' LEU . 32.8 ttm180 -63.06 -50.88 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.307 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.3 mt -60.93 -34.15 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.345 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -46.49 88.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmt-85 -62.44 -42.71 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.57 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.17 -46.36 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 25.9 t80 -62.64 -37.94 88.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -32.52 73.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.724 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.12 -32.96 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.81 111.3 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 10.2 mtt85 -74.01 5.08 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.789 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.81 129.52 51.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.189 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 HG22 ' A' ' 45' ' ' ILE . 8.2 mt -93.77 179.11 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.414 0.626 . . . . 0.0 111.698 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -147.6 166.52 27.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.529 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -50.44 71.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.031 0.443 . . . . 0.0 110.31 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -41.6 93.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.485 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' HD22 ' A' ' 26' ' ' LEU . 27.1 mtt85 -67.93 -42.79 80.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -47.26 82.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -67.5 -38.96 85.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.82 -49.21 66.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 9.0 mp -65.85 -38.33 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 p -60.72 -47.69 85.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -70.41 -54.1 13.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.58 -42.63 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -85.25 -39.47 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.681 0.277 . . . . 0.0 111.297 -179.138 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.38 46.47 1.99 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.65 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -132.29 160.45 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -77.42 141.2 39.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.692 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.7 mt-10 -51.03 -42.42 60.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.82 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -44.44 71.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.59 HG22 HD11 ' A' ' 26' ' ' LEU . 4.9 mt -65.35 -43.3 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 110.383 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -45.97 88.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.065 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.479 HG22 ' OD1' ' A' ' 51' ' ' ASN . 77.1 mt -66.74 -39.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.767 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.582 ' NE1' HD22 ' A' ' 13' ' ' LEU . 86.7 t90 -62.57 -45.19 94.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.3 m-85 -63.95 -48.73 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.61 -40.87 96.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.647 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' OD1' HG22 ' A' ' 47' ' ' ILE . 7.4 m120 -67.78 -36.77 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -66.13 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.679 0.276 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -53.46 -42.34 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.32 -40.73 85.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.81 -45.8 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.642 HD22 ' NE1' ' A' ' 48' ' ' TRP . 4.9 mt -66.44 -35.48 80.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.243 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.19 95.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.384 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -49.58 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.6 mt -61.34 -36.04 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.414 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -61.98 -46.11 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -61.39 -45.18 95.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.41 -40.53 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 21.5 t80 -62.33 -37.68 86.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.693 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.52 -27.61 69.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.97 -35.84 25.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.74 123.47 5.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.746 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -73.22 -3.99 30.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.686 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.2 m-85 -108.32 179.95 4.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.518 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 mt -145.77 126.4 14.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 111.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -93.52 164.6 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.924 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.51 -47.92 72.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 0.0 109.985 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -60.14 -40.62 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.469 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.31 -44.58 75.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.523 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -63.83 -47.54 80.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -39.26 85.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.95 -49.15 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -39.57 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.638 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.4 p -60.66 -47.11 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -68.95 -39.81 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.451 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.32 62.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.724 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.0 mt -85.22 -11.12 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.62 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 32.0 63.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -110.02 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -82.83 135.72 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.31 -42.04 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.46 -41.95 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 35' ' ' SER . 22.3 mt -65.74 -42.45 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.237 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -58.82 -45.96 88.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.476 HG22 ' OD1' ' A' ' 51' ' ' ASN . 54.9 mt -64.23 -39.94 87.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.642 ' NE1' HD22 ' A' ' 13' ' ' LEU . 91.1 t90 -61.69 -47.18 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.726 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.86 -42.0 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.71 99.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.476 ' OD1' HG22 ' A' ' 47' ' ' ILE . 27.8 m120 -67.0 -40.99 87.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.758 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -67.59 -39.67 84.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.402 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.525 0.018 0 CA-C-O 120.87 0.367 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -53.44 -46.72 69.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.71 -40.25 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 16' ' ' LEU . 65.4 mt-30 -66.76 -42.89 85.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.8 mt -66.56 -37.27 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.54 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.77 89.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.326 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 45' ' ' ILE . 3.1 mt -63.3 -37.51 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.789 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 14.8 tttt -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -43.06 96.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.61 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 34' ' ' LEU . 1.2 mt-10 -65.93 -44.87 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 22.3 t80 -64.93 -32.83 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -83.11 -34.53 26.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.59 109.14 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -73.09 2.06 7.85 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.924 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 18.9 m-85 -109.48 124.51 51.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 26' ' ' LEU . 10.0 mt -94.07 -177.28 4.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.342 0.591 . . . . 0.0 111.505 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -150.47 169.19 22.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.585 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.21 -50.89 69.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.1 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.516 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 34' ' ' LEU . 5.3 mtp180 -68.17 -39.96 82.41 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -64.07 -54.54 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -35.22 79.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.91 -52.88 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -61.5 -36.15 79.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.541 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.3 m -60.76 -49.52 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -70.82 -40.59 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.264 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.01 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.956 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.469 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 76.9 mt -85.25 -12.11 53.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.795 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.86 53.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.32 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.35 164.22 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.88 134.91 35.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 45' ' ' ILE . 50.8 mt-10 -50.56 -36.74 35.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -69.43 -44.9 70.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 16' ' ' LEU . 4.2 mt -64.49 -42.78 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -58.77 -45.99 88.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.2 mt -65.68 -37.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.5 t90 -61.2 -46.98 88.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.88 -43.8 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -43.23 98.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.2 -42.11 93.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.38 -28.34 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HD3' ' CE1' ' A' ' 25' ' ' TYR . 3.4 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.682 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.4 p . . . . . 0 CA--C 1.523 -0.071 0 CA-C-O 120.751 0.31 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -38.92 64.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.631 ' HB3' HD13 ' A' ' 38' ' ' LEU . 72.8 mt-30 -66.78 -31.9 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.709 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 9' ' ' SER . 3.5 mm? -65.04 -42.71 94.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.168 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.79 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -47.08 86.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 9.7 mt -60.86 -44.43 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.393 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -61.31 -39.41 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -61.37 -45.93 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.31 -34.84 79.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.518 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 75.0 t80 -64.61 -40.02 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.399 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.78 -26.15 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.817 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -158.51 121.02 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -73.61 2.28 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -124.82 131.55 53.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 26' ' ' LEU . 8.9 mt -95.76 -179.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.225 0.536 . . . . 0.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -145.97 169.16 19.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.463 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -50.04 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.964 0.411 . . . . 0.0 110.244 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -58.85 -45.58 89.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -66.71 -41.72 87.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -52.56 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.69 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -51.99 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.663 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.96 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.517 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -60.75 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.68 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -38.32 77.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.47 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -58.62 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.882 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 12' ' ' GLN . 10.8 mt -85.28 -13.69 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.847 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.21 41.32 39.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.359 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.73 170.81 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' HB2' ' HG3' ' A' ' 44' ' ' GLN . 5.6 m120 -82.86 133.05 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.48 -39.33 47.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.19 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 14.4 mt-30 -69.71 -36.4 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 35' ' ' SER . 46.5 mt -67.85 -46.08 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.539 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mt -66.05 -37.15 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.8 t90 -60.57 -48.65 80.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.725 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.9 m-85 -63.99 -45.25 89.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.4 -41.43 98.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.741 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -71.25 -31.58 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -67.42 -32.41 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.807 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.724 ' O ' HD23 ' A' ' 13' ' ' LEU . 3.3 p . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.571 0.224 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -53.45 -38.11 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -49.3 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.635 HE21 ' N ' ' A' ' 9' ' ' SER . 22.9 mt-30 -66.76 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.762 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.45 -49.02 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.268 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.89 99.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -63.41 -50.2 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 12.4 mt -60.68 -45.23 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.03 -38.28 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -44.29 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.342 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -68.7 -34.66 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.3 -35.6 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.807 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.9 -31.77 72.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.08 -33.64 26.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.453 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 12.4 p-10 -157.36 122.04 4.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.546 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -73.09 -3.86 28.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 11.0 m-85 -110.51 -170.62 1.68 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.751 0.31 . . . . 0.0 110.544 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.1 mt -149.77 131.4 14.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 111.157 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.58 165.07 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -49.72 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.046 0.451 . . . . 0.0 110.194 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.87 -38.9 79.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.13 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.7 tpm_? -69.74 -48.83 57.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.281 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -44.59 96.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.609 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 16.0 pt20 -67.45 -40.26 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -45.39 78.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.61 -39.62 94.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.632 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' ILE . 19.8 p -60.66 -48.43 81.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.94 -48.32 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.701 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -42.48 93.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 5.8 mt -85.23 -21.33 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.47 31.81 40.11 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.339 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 171.47 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -82.24 139.67 34.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 45' ' ' ILE . 20.6 mt-10 -51.77 -39.49 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -42.09 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -64.99 -44.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.431 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -45.6 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.58 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.997 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 61.8 t90 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.711 0.291 . . . . 0.0 110.628 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.01 -47.6 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.15 96.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.747 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -70.57 -35.21 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 5.1 tmtm? -66.16 -39.54 89.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.717 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.766 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 p . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.639 0.257 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.48 -40.84 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.474 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -45.57 92.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.57 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.0 mt-30 -66.85 -31.55 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -65.19 -50.1 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.612 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -46.45 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 12' ' ' GLN . 14.6 mt -64.87 -42.05 95.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.04 -35.66 80.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.679 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -50.98 59.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -41.43 97.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 51.0 t80 -61.93 -41.56 98.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.59 -26.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -83.04 -37.81 23.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -158.95 119.48 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 mtp180 -73.17 0.43 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.721 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -116.57 136.29 53.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.786 0.327 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.4 mt -99.9 179.53 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.31 0.576 . . . . 0.0 111.445 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.5 p -146.93 167.69 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.448 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -56.16 -48.07 77.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.03 0.443 . . . . 0.0 110.098 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -59.34 -46.53 88.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.335 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.677 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -66.93 -42.05 85.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.65 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -52.07 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.116 0.484 . . . . 0.0 110.734 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.296 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -66.94 -41.75 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.823 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -63.12 -43.24 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.74 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.981 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -70.55 -40.87 73.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.95 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.6 OUTLIER -69.02 -54.14 16.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.987 -178.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 34' ' ' LEU . 41.9 mt -85.17 -15.98 41.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.675 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.33 45.22 19.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.436 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD ' ' A' ' 12' ' ' GLN . 7.5 mt -124.65 170.71 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -82.81 140.4 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.0 mt-10 -51.73 -41.64 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.77 74.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -69.26 -44.84 71.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.2 mt -65.94 -41.44 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.31 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -45.93 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.87 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 40.1 mt -66.98 -40.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.473 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 54.8 t90 -60.61 -44.94 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.06 -48.31 76.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.29 -42.1 99.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -66.61 -37.21 84.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -36.56 83.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.647 179.696 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.71 0.29 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 t -53.4 -46.12 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.853 0.358 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -42.96 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.741 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' HD12 ' A' ' 16' ' ' LEU . 76.8 mt-30 -66.45 -52.27 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -61.59 -36.56 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.621 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.59 85.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -66.11 -44.91 82.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.513 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.0 mt -62.74 -39.47 94.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.709 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.0 -43.63 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.299 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -44.65 94.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.457 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.55 -37.97 88.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 63.2 t80 -63.01 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.744 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -28.62 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.456 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -83.01 -34.23 26.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -156.73 125.49 5.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -73.23 -9.26 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.55 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -112.15 -177.09 3.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.98 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.7 mt -140.25 -175.22 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 p -149.26 164.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.755 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.19 -49.5 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.932 0.396 . . . . 0.0 110.394 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.329 179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.6 ttm180 -67.82 -44.75 76.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.488 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' NE ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 ttp-105 -58.9 -50.85 72.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -40.51 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.518 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -66.9 -47.27 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.686 0.279 . . . . 0.0 110.869 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -60.33 -42.37 95.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.867 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 45' ' ' ILE . 85.5 p -61.04 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -69.79 -38.18 76.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 1.4 tt0 -63.83 -54.14 39.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.6 mt -85.23 -28.83 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.661 0.267 . . . . 0.0 111.438 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.78 42.2 3.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.66 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.9 mt -121.73 171.99 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.622 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.8 134.19 35.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.782 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HA ' HD12 ' A' ' 45' ' ' ILE . 1.7 mt-10 -53.15 -38.09 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.22 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -69.81 -41.9 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 42' ' ' GLU . 11.2 mt -66.96 -42.7 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.301 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' NE ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -58.79 -45.86 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.7 -39.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.657 ' HE1' HD21 ' A' ' 13' ' ' LEU . 81.7 t90 -60.68 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.92 -46.82 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.27 -39.1 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.67 -39.74 70.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 1.5 tmtt? -66.18 -35.79 81.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.904 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.914 0.388 . . . . 0.0 110.675 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.752 ' O ' HD23 ' A' ' 13' ' ' LEU . 9.7 p . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.674 0.273 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -53.32 -38.05 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.538 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.96 83.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.053 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HA ' HD22 ' A' ' 38' ' ' LEU . 34.9 mt-30 -67.86 -31.62 71.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.919 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 9' ' ' SER . 2.9 mm? -63.26 -48.83 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.399 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.03 99.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.586 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 15.4 mt -63.58 -47.42 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -39.51 89.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.53 94.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.393 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.29 -37.9 86.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -65.2 -38.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -66.63 -33.05 74.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.01 -35.61 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.042 0.449 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -156.77 118.57 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 -73.12 -1.51 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -109.08 -179.42 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 110.664 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 45' ' ' ILE . 3.8 mt -146.28 128.84 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -93.6 164.86 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.752 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.73 -46.19 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.089 0.471 . . . . 0.0 110.271 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 5.5 mpt_? -62.39 -39.55 93.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.362 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.7 mtm-85 -69.78 -39.74 76.45 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.7 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG3' HD13 ' A' ' 26' ' ' LEU . 5.6 mtm180 -62.78 -46.79 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.352 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.18 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -66.89 -50.07 63.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.2 mt -62.12 -35.11 77.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.443 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.525 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -61.01 -51.19 70.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.577 179.659 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -46.8 65.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.55 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.53 -41.98 96.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.104 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 12' ' ' GLN . 90.6 mt -85.26 -29.36 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.6 29.62 15.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.197 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD11 ' CD ' ' A' ' 12' ' ' GLN . 1.3 mt -123.24 172.16 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 45' ' ' ILE . 1.5 m120 -82.76 143.71 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.194 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.18 -39.77 57.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.61 -46.78 68.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.541 HG22 HD11 ' A' ' 26' ' ' LEU . 2.5 mp -64.51 -41.06 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.368 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -45.81 89.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 ' OD1' ' A' ' 51' ' ' ASN . 43.6 mt -64.06 -39.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 68.4 t90 -60.68 -43.53 97.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 1.4 m-85 -64.21 -48.51 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.08 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -35.98 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 47' ' ' ILE . 24.8 m120 -70.46 -47.02 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -66.49 -29.42 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 179.746 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -53.43 -40.1 64.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.993 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -42.3 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -66.81 -41.71 87.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -42.78 94.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.728 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.39 90.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.34 -42.65 87.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' CE3' ' A' ' 48' ' ' TRP . 7.4 mt -62.98 -43.23 99.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -41.63 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -61.06 -44.46 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.83 -38.59 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CD1' ' HD3' ' A' ' 52' ' ' LYS . 64.4 t80 -64.99 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -29.31 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -82.98 -35.3 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -161.15 110.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 27.5 mtm180 -73.1 -2.18 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.891 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -113.32 123.84 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.0 mt -90.2 -177.62 5.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.338 0.59 . . . . 0.0 111.612 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -151.0 171.09 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.575 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.15 -50.75 70.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.97 -45.71 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.514 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.583 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -37.18 84.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.823 0.344 . . . . 0.0 111.266 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' NE ' ' HB3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -62.19 -54.5 40.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.4 -31.87 72.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.041 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -50.64 61.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.45 -42.95 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -48.59 57.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.689 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.52 -42.51 99.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.8 mt -85.21 -52.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.214 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 39.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.149 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.07 178.21 5.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -82.82 140.05 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HB3' ' NE ' ' A' ' 31' ' ' ARG . 46.7 mt-10 -52.55 -41.14 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.74 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.798 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.21 -38.51 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.81 -46.38 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -45.87 88.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.052 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.21 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.479 ' CE3' HD22 ' A' ' 16' ' ' LEU . 77.0 t90 -60.55 -49.21 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.769 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.1 m-85 -63.91 -45.54 88.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.22 -40.03 84.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.564 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.12 -46.09 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.738 ' N ' HE21 ' A' ' 12' ' ' GLN . 8.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.733 0.302 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -53.45 -45.06 69.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -37.68 84.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.738 HE21 ' N ' ' A' ' 9' ' ' SER . 29.3 mt-30 -66.75 -46.75 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.465 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.9 mt -65.29 -35.11 80.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -46.45 88.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.334 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.2 mt -62.72 -35.96 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -62.78 -45.55 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -61.83 -46.06 91.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.27 -37.87 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 59.9 t80 -64.62 -39.43 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -27.83 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -83.11 -33.64 26.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.79 116.95 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.265 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.19 -2.38 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.089 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.1 175.9 5.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.751 0.31 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 45' ' ' ILE . 4.8 mt -142.63 131.35 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 111.159 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -93.55 162.64 13.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.991 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.37 -47.27 72.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.171 0.51 . . . . 0.0 110.022 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -40.35 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.41 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -68.36 -42.87 78.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 -179.456 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.46 -51.62 69.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -40.45 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -66.9 -41.14 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.735 0.303 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 2.2 mt -65.84 -40.54 91.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 45' ' ' ILE . 1.4 t -60.72 -51.6 68.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.748 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -47.29 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -62.57 -45.36 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 12' ' ' GLN . 14.6 mt -85.23 -42.89 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.238 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.43 32.22 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.204 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.14 165.01 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 2.6 t-20 -78.01 137.97 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 45' ' ' ILE . 36.8 mt-10 -50.66 -39.37 50.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.181 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.76 81.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 35.5 mm-40 -69.4 -40.02 77.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -65.56 -44.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.393 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.77 -46.16 88.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.685 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.8 -39.74 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.72 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.465 ' NE1' HD22 ' A' ' 13' ' ' LEU . 87.7 t90 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.462 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -65.81 -48.55 71.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.806 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -63.31 -36.58 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -41.76 79.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.45 -43.7 84.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.932 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.504 ' O ' HD23 ' A' ' 13' ' ' LEU . 13.6 p . . . . . 0 CA--C 1.522 -0.104 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -40.91 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.445 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.01 -45.32 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.035 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.731 ' HG2' HD22 ' A' ' 38' ' ' LEU . 84.0 mt-30 -66.73 -34.83 78.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.106 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 9' ' ' SER . 1.7 mm? -62.86 -48.41 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.291 179.473 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.3 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.28 79.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.518 179.637 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 28.0 mt -63.09 -45.02 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.799 179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -47.56 84.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.08 -31.48 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 81.4 t80 -63.02 -44.05 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.47 -27.1 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -82.95 -35.5 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 121.76 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mtp180 -73.14 -5.28 38.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.634 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -109.58 -177.79 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 mt -146.78 129.28 15.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.419 HG23 HH11 ' A' ' 30' ' ' ARG . 6.7 p -93.51 166.81 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.054 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.42 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.093 0.473 . . . . 0.0 109.91 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.53 -39.34 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.369 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.668 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.49 -46.13 70.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.769 0.319 . . . . 0.0 111.122 -179.45 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -57.57 -48.63 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.379 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.47 -36.13 80.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.471 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -53.06 35.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -38.07 89.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.634 ' HA ' HD11 ' A' ' 45' ' ' ILE . 87.8 p -60.71 -49.8 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.54 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -69.59 -42.44 74.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.379 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.53 -52.5 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.785 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HG2' ' A' ' 12' ' ' GLN . 58.4 mt -85.19 -12.73 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.747 -179.373 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.91 27.91 61.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -108.63 166.53 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -82.9 141.81 31.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -52.65 -39.0 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.91 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -44.43 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.368 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 35' ' ' SER . 25.4 mt -64.99 -41.89 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.28 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -58.89 -45.74 89.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.709 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.87 -39.84 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.747 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.1 t90 -60.66 -46.27 90.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.468 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.3 m-85 -65.99 -41.91 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.08 98.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -35.88 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -70.93 -42.91 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.653 0.263 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -46.73 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.62 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.425 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.799 ' O ' HD12 ' A' ' 16' ' ' LEU . 88.8 mt-30 -66.65 -45.59 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -66.77 -38.68 87.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.723 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.71 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -66.02 -52.07 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -61.25 -39.92 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.799 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -62.92 -44.18 96.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -60.17 -42.73 95.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.705 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.26 -34.87 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.616 179.627 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -65.13 -38.89 92.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.45 -31.68 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.03 -34.38 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.19 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.77 116.27 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.546 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 mtt85 -73.18 -4.01 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.655 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.59 -178.19 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.5 mt -145.09 176.99 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 p -146.51 165.02 30.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.656 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.07 -51.08 69.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -60.18 -36.4 77.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.133 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.4 ttm180 -70.57 -48.23 56.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -59.2 -47.03 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.605 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -67.48 -35.3 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.91 -51.89 49.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.705 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.4 mp -64.76 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.025 0.441 . . . . 0.0 110.273 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 -49.31 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -70.35 -46.45 64.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.643 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.56 -46.16 89.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.059 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.27 -50.15 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.329 . . . . 0.0 111.297 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.06 45.76 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.73 164.93 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.798 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -80.49 139.72 36.26 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.897 ' HA ' HD12 ' A' ' 45' ' ' ILE . 27.0 mt-10 -50.64 -36.86 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.108 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.02 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 47' ' ' ILE . 4.8 mm-40 -69.36 -40.51 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.365 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 42' ' ' GLU . 6.6 mt -64.54 -43.5 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.091 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.86 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.762 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 44' ' ' GLN . 17.5 mt -62.19 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.737 ' HE1' HD21 ' A' ' 13' ' ' LEU . 89.3 t90 -60.64 -48.13 83.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -43.87 94.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.35 -42.06 98.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.76 -36.23 78.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 2.6 tttm -67.8 -29.75 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 179.936 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -53.39 -45.08 69.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.62 -38.52 87.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 16' ' ' LEU . 56.3 mt-30 -66.8 -46.15 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mt -65.07 -35.59 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.4 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -66.58 -44.9 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.9 mt -61.68 -38.89 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.534 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -63.03 -46.01 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.0 94.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.94 -37.67 79.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 41.7 t80 -63.57 -36.79 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.775 179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.64 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.96 -34.05 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -157.15 118.93 3.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -73.09 -5.31 38.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.62 -176.17 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.603 0.239 . . . . 0.0 110.463 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.7 mt -148.71 129.93 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 111.48 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -93.59 166.83 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.981 178.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.11 -51.25 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.234 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -60.54 -36.71 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -46.14 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.02 0.438 . . . . 0.0 110.892 -179.761 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' CD ' ' HG3' ' A' ' 46' ' ' LYS . 21.9 ttp180 -61.46 -54.55 41.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.88 -40.11 87.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.85 -47.79 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD23 ' A' ' 16' ' ' LEU . 3.2 mp -62.17 -35.39 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.161 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.679 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.0 p -60.67 -51.45 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.399 179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -36.83 76.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.443 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.09 -49.19 65.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.06 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 12' ' ' GLN . 53.9 mt -85.19 -28.48 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.517 -179.078 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.28 33.92 6.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 38' ' ' LEU . 1.1 mt -124.53 174.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.65 32.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.959 0.409 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.764 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.2 mp0 -51.27 -41.75 60.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.66 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -68.88 -42.05 77.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.4 mt -66.12 -41.04 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.182 179.166 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -45.59 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.326 179.286 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 17.6 mt -63.18 -41.1 91.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.51 ' NE1' HD22 ' A' ' 13' ' ' LEU . 89.1 t90 -60.16 -47.62 85.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.2 m-85 -63.96 -45.92 86.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.36 97.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.582 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -70.23 -36.52 74.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.767 179.855 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -41.2 90.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.875 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.47 179.621 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.702 ' N ' HE21 ' A' ' 12' ' ' GLN . 12.7 p . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.744 0.307 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -46.64 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.45 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.702 HE21 ' N ' ' A' ' 9' ' ' SER . 20.6 mt-30 -66.88 -45.6 77.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 13' ' ' LEU . 4.5 mt -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.39 90.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -46.51 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.4 mt -63.03 -39.23 94.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -46.67 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -38.15 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -39.98 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.659 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 28.5 t80 -62.31 -38.75 90.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -28.42 69.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.92 -38.36 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -157.25 103.78 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -73.16 -0.6 14.65 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.758 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 115.18 29.67 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.639 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 7.4 mt -90.36 174.08 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.295 0.569 . . . . 0.0 111.462 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 30' ' ' ARG . 20.8 p -146.43 170.74 16.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.448 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.1 -51.1 69.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -60.43 -42.89 96.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.437 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HB2' ' H ' ' A' ' 27' ' ' THR . 2.1 mtp85 -66.73 -39.68 88.05 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.085 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -63.43 -51.78 64.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 0.0 110.588 179.885 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -35.73 82.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.98 -49.29 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.674 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 HD23 HD23 ' A' ' 16' ' ' LEU . 1.9 mp -60.04 -41.01 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -48.81 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -37.28 77.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.724 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -54.38 40.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.988 -179.099 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.3 -46.6 10.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.59 42.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.37 173.37 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.66 136.67 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -52.05 -39.73 60.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.9 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -43.32 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.5 mt -66.71 -41.21 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.407 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.5 tmtm? -58.73 -46.1 88.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.87 -37.79 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 82.6 t90 -60.63 -51.74 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.2 m-85 -63.92 -41.71 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -68.42 -41.37 80.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -68.23 -40.61 82.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.51 179.717 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.735 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.679 0.276 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.35 -41.18 65.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.13 -44.89 78.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.64 -43.21 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.536 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.6 mt -66.84 -35.6 80.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.6 85.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -64.19 -47.63 79.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.666 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.9 mt -61.87 -41.85 98.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.95 -40.94 99.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.522 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.72 88.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.327 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.28 -32.2 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 24' ' ' ARG . 76.6 t80 -65.23 -38.66 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.007 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -62.54 -31.35 72.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.0 -33.12 26.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.34 109.49 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.626 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 7.6 ptp180 -73.21 0.19 12.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.837 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 1.7 m-85 -101.07 -173.75 2.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 45' ' ' ILE . 5.2 mt -149.69 -179.97 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.215 0.531 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 p -152.07 165.48 34.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.17 -51.15 69.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.394 . . . . 0.0 110.476 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.54 91.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.255 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -67.0 -43.31 83.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.617 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -60.6 -47.0 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -38.54 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -50.58 56.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 38' ' ' LEU . 18.6 mt -65.41 -37.27 86.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 45' ' ' ILE . 60.5 p -60.68 -50.96 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.758 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.8 m -69.64 -46.06 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.635 -179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.26 -46.36 84.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.125 -178.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 34' ' ' LEU . 71.6 mt -85.21 -22.7 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.0 34.78 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.837 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.9 mt -124.7 164.61 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.618 0.246 . . . . 0.0 110.562 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.486 HD22 ' HB3' ' A' ' 43' ' ' ALA . 5.8 p-10 -82.9 146.61 28.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.165 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -50.48 -38.53 44.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.325 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -64.66 -35.97 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -44.74 70.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.665 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 35' ' ' SER . 4.6 mt -64.75 -42.36 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.44 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -46.0 88.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.67 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.4 t90 -60.66 -46.44 90.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.46 -43.4 90.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -41.36 98.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.89 -40.97 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 1.1 tptp -66.74 -32.34 73.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.782 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.864 0.364 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -101.63 30.77 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.26 -21.46 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -55.28 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -102.0 95.73 5.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.206 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.64 123.98 10.31 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.452 2.101 . . . . 0.0 112.151 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -175.39 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.35 51.12 2.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.943 0.402 . . . . 0.0 110.829 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.12 90.22 7.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -120.39 174.5 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.949 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 p -107.73 159.05 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -53.42 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.26 -41.09 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.539 ' CD ' HD11 ' A' ' 40' ' ' LEU . 81.0 mt-30 -66.78 -46.69 74.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.66 -36.5 84.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.354 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.22 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.93 -48.58 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' GLN . 6.0 mt -59.81 -41.05 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.618 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -39.11 93.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.176 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -61.13 -45.63 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.302 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -65.32 -39.23 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 67.3 t80 -64.94 -35.43 81.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -83.03 -34.25 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.513 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -160.73 127.29 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -73.12 -1.22 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.959 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.42 -175.8 2.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.79 0.329 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.4 mt -149.16 134.37 18.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -93.62 161.92 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.008 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -49.77 68.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.469 . . . . 0.0 110.296 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.29 -40.48 86.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.458 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -67.33 -42.5 83.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -51.98 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.44 . . . . 0.0 110.751 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -36.28 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.519 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 mm-40 -66.87 -46.01 76.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.05 -43.72 97.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -47.71 85.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.999 0.428 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.9 t -70.39 -36.75 74.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.72 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.66 -56.06 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.24 -33.52 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.382 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.23 45.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.402 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' CD ' ' A' ' 12' ' ' GLN . 6.2 mt -123.43 168.28 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -80.49 132.78 35.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 45' ' ' ILE . 37.9 mt-10 -52.08 -35.56 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.08 86.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HG3' ' CB ' ' A' ' 41' ' ' ASN . 1.2 mt-30 -69.68 -41.83 74.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.1 mt -64.94 -44.96 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -58.74 -46.01 88.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.59 -37.09 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.652 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.0 t90 -60.65 -43.47 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 1.4 m-85 -68.85 -42.47 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.12 -39.18 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -37.98 71.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.0 tptt -66.72 -34.94 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.727 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -32.88 72.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -17.32 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.724 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.09 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.79 -58.94 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.21 105.2 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.835 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -94.6 -69.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.909 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.844 0.354 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.55 -71.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -123.94 -35.14 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.32 168.54 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -165.36 88.32 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' HG2' HD13 ' A' ' 47' ' ' ILE . 92.6 Cg_endo -80.43 147.44 17.92 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.625 2.217 . . . . 0.0 112.531 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -165.69 123.76 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -138.07 162.39 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 113.53 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.8 m-85 -80.6 -174.44 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.519 ' O ' HD23 ' A' ' 13' ' ' LEU . 16.2 p -115.84 150.73 36.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.694 0.283 . . . . 0.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -37.89 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.05 -46.74 87.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.108 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.7 mt-30 -68.47 -31.78 71.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.04 0.447 . . . . 0.0 109.911 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' SER . 2.2 mm? -64.64 -49.08 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.799 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.29 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 1.4 mtt-85 -63.67 -43.77 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.3 mt -63.87 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.448 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -60.92 -37.16 81.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -47.11 84.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.02 -37.67 86.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 52.7 t80 -65.22 -38.91 91.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -29.03 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -83.02 -35.16 26.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -159.03 116.74 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.676 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 29.9 mtt180 -73.16 -5.87 42.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.784 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -103.59 177.14 4.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.7 mt -141.43 -177.09 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.279 0.561 . . . . 0.0 111.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -154.82 165.9 35.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.755 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -51.31 68.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.02 -37.52 82.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.174 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB3' HD22 ' A' ' 26' ' ' LEU . 5.3 mmt-85 -68.61 -44.99 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NE ' ' HG3' ' A' ' 46' ' ' LYS . 7.4 ttm105 -61.83 -47.35 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.95 -41.24 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 38' ' ' LEU . 5.2 mt -66.05 -43.76 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -60.71 -45.8 92.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.91 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.539 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.21 -48.86 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 34' ' ' LEU . 18.2 mt -85.17 -26.63 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 111.47 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.51 34.56 8.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.062 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.52 172.07 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.039 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.83 140.79 32.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.3 mt-10 -52.1 -39.35 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -69.67 -41.26 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mt -67.44 -42.47 87.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -58.72 -45.99 88.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' A' ' 4' ' ' PRO . 41.2 mt -67.85 -38.46 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 78.9 t90 -61.59 -44.3 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.95 -50.3 69.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.76 98.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.6 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -67.5 -45.32 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -29.34 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.77 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.64 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -75.26 -57.94 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 52' ' ' LYS . 2.6 mp -69.76 -56.76 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 75.83 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 105.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -152.37 44.3 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -116.12 -38.42 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.97 -52.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -113.07 88.84 12.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.14 -26.03 14.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.154 . . . . 0.0 112.361 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.713 ' HG3' HG22 ' A' ' 6' ' ' THR . 5.9 tpm_? -55.67 -73.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.713 HG22 ' HG3' ' A' ' 5' ' ' ARG . 4.9 t 176.48 150.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.818 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.63 133.34 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.403 ' HB2' HD21 ' A' ' 13' ' ' LEU . 38.2 m-85 -81.31 -176.41 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 13' ' ' LEU . 10.3 p -115.0 153.66 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -53.42 -38.13 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.38 -48.76 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.184 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 38' ' ' LEU . 33.9 mt-30 -66.79 -31.64 72.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.929 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -63.14 -50.02 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.288 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.784 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.93 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -64.18 -42.17 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.596 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -62.98 -40.94 99.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -45.51 93.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -68.47 -38.17 80.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' HE2' HD13 ' A' ' 56' ' ' ILE . 57.1 t80 -63.27 -37.81 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.53 -28.44 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.97 -37.79 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -156.8 124.17 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 6.7 mtm105 -73.16 -3.5 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.079 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -109.02 -172.91 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 31' ' ' ARG . 5.8 mt -146.8 176.93 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 111.177 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -147.36 162.8 38.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -48.25 76.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.058 0.456 . . . . 0.0 110.387 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.098 179.465 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -69.77 -50.29 44.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' HD13 ' A' ' 26' ' ' LEU . 2.7 ttm180 -57.46 -42.38 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' A' ' 33' ' ' GLN . 6.6 pt20 -67.46 -39.22 85.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.982 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 4.3 mm100 -67.04 -51.98 48.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.8 mt -61.58 -37.34 83.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -50.39 73.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -42.79 74.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.768 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.93 -49.14 69.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 12' ' ' GLN . 46.5 mt -85.14 -17.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.41 29.05 41.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.644 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD11 ' CD ' ' A' ' 12' ' ' GLN . 2.3 mt -114.02 165.04 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.486 ' HB3' ' HG3' ' A' ' 44' ' ' GLN . 14.4 t-20 -82.07 141.7 32.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 111.099 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.02 -33.59 52.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.903 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 41' ' ' ASN . 2.8 mt-30 -68.85 -42.63 76.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.532 HG22 HD11 ' A' ' 26' ' ' LEU . 21.2 mt -64.54 -43.54 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.91 88.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.44 -37.38 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 70.5 t90 -61.89 -50.34 72.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -63.87 -41.91 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.593 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -43.05 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -34.44 70.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 56' ' ' ILE . 19.3 tptt -66.29 -40.16 89.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HA ' HG22 ' A' ' 56' ' ' ILE . 3.1 mtm105 -63.76 -37.15 86.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.13 68.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.597 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -81.3 -31.45 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.331 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.557 HD13 ' HE2' ' A' ' 20' ' ' PHE . 4.3 tt -87.92 -16.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.41 176.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -94.61 73.02 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.949 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -85.07 -71.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.95 117.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -133.91 8.81 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.413 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.38 83.84 10.59 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.702 0.287 . . . . 0.0 110.792 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.98 -53.84 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.523 2.149 . . . . 0.0 112.386 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -151.13 143.2 24.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.577 HG21 ' CD ' ' A' ' 44' ' ' GLN . 10.1 t -122.87 164.38 18.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 101.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -84.19 170.62 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -121.59 154.11 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.38 -39.98 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.26 -40.46 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.671 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 40' ' ' LEU . 91.4 mt-30 -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.5 mt -63.66 -34.09 77.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.541 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.49 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.52 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 34' ' ' LEU . 4.7 mt -60.39 -40.6 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.663 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.88 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.487 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' OE1' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.06 -41.65 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 53.1 t80 -63.1 -37.61 87.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.25 -29.95 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.08 -35.21 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.56 116.79 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -73.32 1.72 8.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.842 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -121.73 129.54 52.78 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.797 0.332 . . . . 0.0 110.359 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.7 mt -92.97 -177.76 4.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.392 0.615 . . . . 0.0 111.631 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -149.03 167.47 25.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.434 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.69 -50.86 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 0.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -39.62 87.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.379 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.774 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.23 -42.89 75.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.34 -179.307 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.79 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -66.95 -50.81 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 16' ' ' LEU . 8.6 mp -65.71 -36.9 84.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -60.76 -49.72 76.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -68.9 -41.68 77.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.588 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -56.18 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.016 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 12' ' ' GLN . 79.9 mt -85.27 -9.93 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.718 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 38.04 70.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' CD ' ' A' ' 12' ' ' GLN . 4.8 mt -111.84 168.83 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 132.65 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.781 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 12.3 mt-10 -50.92 -38.5 50.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.351 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.577 ' CD ' HG21 ' A' ' 6' ' ' THR . 69.0 mt-30 -69.74 -39.05 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.665 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 35' ' ' SER . 33.5 mt -65.76 -46.18 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.498 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -45.79 88.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.604 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 51' ' ' ASN . 33.2 mt -63.34 -37.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.504 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.8 t90 -64.18 -43.02 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.6 m-85 -67.82 -45.02 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -63.3 -38.46 91.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 47' ' ' ILE . 12.7 m120 -71.77 -36.81 70.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 7.6 mptt -66.84 -31.83 72.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.51 -29.48 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.65 -27.08 68.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.215 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -75.04 -32.08 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.0 mm -60.34 -44.79 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 118.38 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 64.01 99.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.925 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.935 0.398 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -165.43 -47.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.91 29.52 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -69.08 138.56 54.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -107.33 90.23 5.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.46 157.06 53.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.563 2.175 . . . . 0.0 112.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ttp-105 -121.88 -50.16 2.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 85.26 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.16 102.92 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -134.42 179.03 6.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p -110.23 160.13 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.734 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -53.37 -46.14 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.85 -40.67 91.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.516 ' HB3' HD11 ' A' ' 40' ' ' LEU . 83.2 mt-30 -66.09 -45.52 80.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 13' ' ' LEU . 3.2 mt -66.54 -36.73 83.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.347 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.76 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.461 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.32 -51.36 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.549 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 34' ' ' LEU . 6.7 mt -59.94 -38.07 81.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.668 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -63.02 -43.67 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.8 93.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -40.41 93.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.528 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 74.0 t80 -65.26 -34.99 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.789 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.37 -29.93 70.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -83.07 -38.61 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.79 120.85 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 8.9 mtt85 -73.07 -2.48 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.94 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.36 130.44 55.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.312 . . . . 0.0 110.533 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.9 mt -99.32 -177.83 3.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.322 0.582 . . . . 0.0 111.482 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -148.22 167.22 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.325 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.66 -51.06 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.943 0.401 . . . . 0.0 110.195 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -37.3 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.976 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.752 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.36 -49.84 62.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.212 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -58.74 -51.87 68.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.608 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.76 -35.75 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.92 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.489 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.2 p -61.11 -51.14 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -69.85 -39.15 76.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -62.62 -57.32 11.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.823 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 15' ' ' ARG . 36.0 mt -85.34 -12.6 51.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.552 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.46 30.67 44.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 12' ' ' GLN . 8.1 mt -103.87 169.6 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -82.89 131.46 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.1 mp0 -50.51 -41.12 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 86.8 mm-40 -69.72 -35.14 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 42' ' ' GLU . 7.6 mt -68.27 -46.99 80.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.358 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -45.81 89.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.35 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 92.9 t90 -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.4 m-85 -64.02 -47.68 79.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.15 -39.8 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.89 -38.32 79.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.725 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 4.2 tptt -67.26 -36.14 80.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -64.54 -35.09 79.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.156 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.15 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.61 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -79.66 5.26 13.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.821 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 52' ' ' LYS . 35.3 mm -85.38 -71.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 93.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -59.16 148.57 31.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.888 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.809 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -80.14 144.6 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -131.99 145.87 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -76.57 141.75 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.08 154.29 70.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.97 135.32 58.27 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.191 . . . . 0.0 112.231 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.648 ' HG3' HG22 ' A' ' 6' ' ' THR . 17.9 ptt-85 -155.45 -44.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HG3' ' A' ' 5' ' ' ARG . 1.7 t -173.06 144.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.84 127.59 43.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 40' ' ' LEU . 7.5 m-85 -108.58 172.51 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -115.42 158.67 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -43.66 68.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.61 -40.5 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.74 -43.51 83.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD22 ' HE1' ' A' ' 48' ' ' TRP . 2.6 mt -66.81 -34.69 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.68 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.615 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.22 -49.78 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.5 mt -61.92 -37.03 83.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -62.73 -45.08 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -44.43 96.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -38.32 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.609 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 71.0 t80 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.48 -28.71 70.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -83.08 -32.7 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -156.78 125.69 5.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.431 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -73.15 -13.62 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.746 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -108.2 -172.05 1.98 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.8 mt -146.9 135.89 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -93.6 166.49 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.669 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -50.78 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.163 0.506 . . . . 0.0 110.078 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.75 -40.26 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.445 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -66.82 -40.71 88.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.561 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.87 41.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.41 -31.99 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 1.5 mm-40 -67.13 -53.26 32.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.8 mt -64.21 -34.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 45' ' ' ILE . 20.2 p -60.7 -51.58 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.569 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -42.98 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.744 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -62.61 -45.57 92.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.667 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.25 -56.72 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.8 44.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 8' ' ' PHE . 2.0 mp -133.43 173.02 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.753 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.82 144.11 30.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' HA ' HD12 ' A' ' 45' ' ' ILE . 52.2 mt-10 -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.75 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.036 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.5 -43.18 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.6 mt -67.48 -40.9 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.979 0.419 . . . . 0.0 110.323 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -58.76 -45.75 89.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.396 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 16.6 mt -65.31 -39.37 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.3 t90 -60.68 -46.7 89.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.7 m-85 -63.83 -47.13 82.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.33 -39.35 94.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.917 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 2.5 t-20 -67.64 -34.32 76.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.15 -43.32 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.661 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' HA ' HD12 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -68.96 -30.46 68.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.644 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.532 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -6.29 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.545 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 53' ' ' ARG . 33.2 mt -94.72 -68.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 84.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -128.66 145.77 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.824 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.75 0.31 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -114.74 -37.77 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.53 120.24 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.242 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -36.43 10.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.9 137.9 20.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.44 -176.11 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.397 2.065 . . . . 0.0 112.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -157.52 148.72 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.431 ' HB ' ' CE2' ' A' ' 8' ' ' PHE . 2.4 p -121.47 -77.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.7 83.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CE2' ' HB ' ' A' ' 6' ' ' THR . 6.6 m-85 -127.17 -165.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.573 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.6 p -120.91 154.62 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.41 -36.6 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.395 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.23 -48.62 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' HD13 ' A' ' 38' ' ' LEU . 71.3 mt-30 -66.92 -32.0 72.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.778 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.7 -45.39 90.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.174 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.72 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.642 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -46.98 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.3 mt -60.05 -44.6 94.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 1.4 mtmm -62.91 -34.25 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -63.67 -49.15 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -36.25 83.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HZ ' HD13 ' A' ' 56' ' ' ILE . 41.9 t80 -65.27 -35.77 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.0 -36.0 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -162.21 128.62 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -6.7 47.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.479 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -100.67 179.1 4.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.6 mt -142.32 -175.19 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.153 0.501 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -154.79 166.84 32.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.692 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.09 -51.07 69.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 3.6 mmp_? -60.56 -35.51 76.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.804 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -71.99 -47.3 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -43.06 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 2.2 pp0? -66.88 -35.27 79.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -67.07 -47.46 71.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -65.86 -42.79 89.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.03 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.453 ' CA ' HD11 ' A' ' 45' ' ' ILE . 12.0 p -60.65 -47.22 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -71.12 -50.75 30.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.671 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.44 -42.82 98.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.197 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD11 HD23 ' A' ' 34' ' ' LEU . 55.5 mt -85.32 -43.87 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.334 . . . . 0.0 111.308 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.82 41.34 2.0 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.272 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.86 172.05 11.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -82.81 140.86 32.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.41 -39.9 61.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.95 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -39.87 78.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.394 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' CA ' ' A' ' 35' ' ' SER . 49.7 mt -66.62 -43.6 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.304 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.79 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 28.1 mt -62.49 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.773 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 83.5 t90 -60.62 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.07 -47.84 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.489 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.44 -42.34 98.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.007 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.08 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' HD12 ' A' ' 56' ' ' ILE . 9.7 tptt -66.15 -39.65 89.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.699 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.87 -30.23 71.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.708 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -23.07 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -74.09 -41.96 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.787 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.564 ' H ' HD12 ' A' ' 56' ' ' ILE . 4.3 mp -85.07 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.71 100.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 128.4 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 12.7 ttm . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.96 -71.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.72 157.62 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -149.36 -43.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.53 69.61 60.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.93 -168.68 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.538 2.159 . . . . 0.0 112.249 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -133.1 -69.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.1 61.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.89 87.41 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -116.28 177.67 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.705 ' O ' HD23 ' A' ' 13' ' ' LEU . 21.2 p -113.46 155.57 25.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -40.56 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.732 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.56 -47.46 86.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.141 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' HG2' HD22 ' A' ' 38' ' ' LEU . 54.7 mt-30 -66.83 -31.53 72.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 9' ' ' SER . 3.4 mm? -64.97 -47.42 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.708 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.95 81.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.0 mmt85 -65.18 -43.27 92.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 18.9 mt -63.77 -45.98 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -62.05 -39.6 92.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -62.19 -45.33 93.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.79 -40.01 95.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 t80 -65.12 -39.04 92.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -62.54 -28.83 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -83.05 -39.11 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.22 110.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -73.14 -3.15 24.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.3 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -107.2 118.33 36.43 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 30' ' ' ARG . 9.3 mt -90.3 -177.94 5.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.372 0.606 . . . . 0.0 111.343 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -152.74 170.39 20.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.564 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.13 -51.16 68.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.139 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -60.47 -41.07 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.278 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.804 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -67.41 -42.87 82.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.481 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -61.67 -49.66 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.339 . . . . 0.0 111.021 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -41.94 95.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -66.99 -43.97 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -64.36 -38.46 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.298 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.754 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.9 p -60.62 -51.11 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -69.52 -44.12 71.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.627 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.64 -41.87 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.799 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 15' ' ' ARG . 7.7 mt -85.22 -58.81 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.2 42.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.192 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.3 mt -139.38 174.71 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.629 0.252 . . . . 0.0 110.75 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.441 HD22 ' HB3' ' A' ' 43' ' ' ALA . 7.1 p-10 -82.87 142.32 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -51.52 -37.16 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -63.15 -37.52 87.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -42.77 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.4 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 35' ' ' SER . 8.7 mt -66.6 -41.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -58.82 -45.83 89.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.961 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 80.3 t90 -60.91 -50.69 72.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.2 m-85 -63.93 -43.42 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.562 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -41.48 98.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.738 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.74 -38.82 90.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 53' ' ' ARG . 20.4 mtm105 -67.34 -44.89 77.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.58 -14.93 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.325 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -41.55 61.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -81.64 -58.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -93.75 118.1 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 96.85 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.938 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.845 0.355 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -147.39 106.24 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 85.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB3' HG21 ' A' ' 6' ' ' THR . 16.0 mttp -67.58 -178.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.285 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 161.53 59.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.17 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.74 -16.56 53.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.569 2.179 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.22 92.17 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.776 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.434 HG21 ' HB3' ' A' ' 2' ' ' LYS . 11.2 t -144.64 175.37 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.957 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.97 128.19 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 9.5 m-85 -79.81 -158.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.718 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.759 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.7 p -102.93 153.86 19.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.526 0.203 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -53.46 -37.17 62.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -49.02 75.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.526 ' O ' HD12 ' A' ' 16' ' ' LEU . 61.2 mt-30 -66.71 -31.37 71.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 9' ' ' SER . 2.8 mm? -62.45 -49.31 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.698 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.28 -47.59 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.5 mt -62.55 -42.62 99.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.56 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -40.97 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.677 179.642 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -46.26 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.576 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.35 -35.79 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 66.6 t80 -65.19 -38.88 91.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -62.49 -29.99 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.04 -39.94 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.87 119.66 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.15 -5.07 36.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.547 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -103.59 -175.99 2.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 45' ' ' ILE . 8.0 mt -144.33 179.18 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.22 0.533 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -146.84 167.23 24.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.495 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -51.07 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 0.0 110.192 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.77 -40.43 92.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.455 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.1 tpt85 -68.58 -41.13 80.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -47.4 84.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.891 0.377 . . . . 0.0 110.775 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -39.97 86.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.9 -46.35 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.97 -42.68 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.8 p -60.7 -44.21 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -47.87 62.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.494 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.09 -49.26 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.901 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.17 -12.2 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.01 34.41 70.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.382 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.04 167.03 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.36 140.5 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 45' ' ' ILE . 71.2 mt-10 -50.71 -42.31 56.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.17 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -69.5 -42.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 mt -66.71 -42.83 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.94 88.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mt -65.84 -42.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 59.3 t90 -60.72 -45.06 95.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.12 -46.25 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.24 -39.39 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.58 -48.46 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -66.14 -29.09 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.19 -43.34 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.67 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.14 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -43.0 39.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.234 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -64.2 -36.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 61.71 148.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -125.26 151.55 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.759 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.94 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.813 0.339 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.48 157.11 17.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -141.8 95.88 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -165.67 -173.48 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 123.3 87.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.789 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.56 -174.48 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.399 2.066 . . . . 0.0 112.251 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.12 -172.65 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.756 HG21 ' CD ' ' A' ' 44' ' ' GLN . 1.7 t -66.03 -14.16 61.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.437 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 6' ' ' THR . . . 72.98 145.95 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.692 0.282 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.67 151.54 42.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -102.48 159.73 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 t -53.4 -45.65 69.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.19 -38.18 90.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.782 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 16' ' ' LEU . 71.9 mt-30 -66.8 -51.23 58.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.8 mt -62.25 -33.02 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.275 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.52 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' HD3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.07 -49.17 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.657 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.1 mt -61.16 -41.5 96.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -62.98 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -41.62 94.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.539 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -41.74 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.65 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -64.25 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -32.41 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -83.05 -34.47 26.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.506 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -162.58 116.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 23.4 ptt-85 -73.21 3.42 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.851 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -97.48 170.75 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.28 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 49' ' ' PHE . 1.2 mt -148.91 122.03 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.377 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -93.56 165.71 12.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.0 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.18 -50.87 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 0.0 110.076 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -59.64 -35.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.29 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HB3' HD22 ' A' ' 26' ' ' LEU . 16.1 mtt180 -70.09 -43.27 71.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.78 -50.22 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.47 83.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.203 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.93 -44.02 81.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.03 -42.52 97.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -60.86 -51.41 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.891 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -68.93 -38.58 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.725 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.6 -47.72 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.362 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 15' ' ' ARG . 32.2 mt -85.32 -64.38 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.34 43.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.74 174.25 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -82.84 145.51 29.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.76 74.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.918 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.756 ' CD ' HG21 ' A' ' 6' ' ' THR . 79.4 mt-30 -69.27 -40.96 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.509 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.71 -45.14 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.1 88.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.44 -41.4 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.438 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.0 t90 -60.73 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 0.0 110.573 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.7 m-85 -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -61.97 -43.09 99.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.577 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.73 -36.9 79.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.77 -39.18 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.329 179.507 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -64.6 -43.37 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -11.28 60.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.726 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -26.47 60.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.698 0.285 . . . . 0.0 110.984 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 52' ' ' LYS . 4.4 mp -104.09 -45.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.04 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 125.82 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.57 168.15 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.947 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.808 0.337 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -59.97 131.78 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -93.55 46.13 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER 59.18 177.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.435 ' HG2' ' HE2' ' A' ' 2' ' ' LYS . 11.5 mtt-85 61.79 74.33 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.12 -24.76 26.78 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.643 2.228 . . . . 0.0 112.083 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 6' ' ' THR . 2.0 ttt180 -157.57 141.75 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.544 HG21 ' OE1' ' A' ' 44' ' ' GLN . 13.8 t 45.52 -167.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.472 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.01 98.84 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.023 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -69.99 159.51 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -110.55 160.89 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 30.3 t -53.42 -43.24 67.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.974 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -40.89 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.748 ' HA ' HD21 ' A' ' 38' ' ' LEU . 95.3 mt-30 -66.74 -53.13 36.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.502 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' NE1' ' A' ' 48' ' ' TRP . 6.3 mt -62.88 -32.56 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.24 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -62.26 -47.29 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' HB3' HD11 ' A' ' 38' ' ' LEU . 32.8 ttm180 -63.06 -50.88 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.307 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.3 mt -60.93 -34.15 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.345 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -46.49 88.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmt-85 -62.44 -42.71 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.57 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.17 -46.36 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 25.9 t80 -62.64 -37.94 88.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -32.52 73.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.724 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.12 -32.96 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.81 111.3 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HE ' HD13 ' A' ' 56' ' ' ILE . 10.2 mtt85 -74.01 5.08 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.789 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.81 129.52 51.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.189 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 HG22 ' A' ' 45' ' ' ILE . 8.2 mt -93.77 179.11 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.414 0.626 . . . . 0.0 111.698 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -147.6 166.52 27.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.529 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -50.44 71.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.031 0.443 . . . . 0.0 110.31 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -41.6 93.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.485 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' HD22 ' A' ' 26' ' ' LEU . 27.1 mtt85 -67.93 -42.79 80.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -47.26 82.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -67.5 -38.96 85.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.82 -49.21 66.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 9.0 mp -65.85 -38.33 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 p -60.72 -47.69 85.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -70.41 -54.1 13.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.58 -42.63 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -85.25 -39.47 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.681 0.277 . . . . 0.0 111.297 -179.138 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.38 46.47 1.99 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.65 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -132.29 160.45 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -77.42 141.2 39.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.692 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.7 mt-10 -51.03 -42.42 60.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.82 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' OE1' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -69.39 -44.44 71.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.59 HG22 HD11 ' A' ' 26' ' ' LEU . 4.9 mt -65.35 -43.3 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 110.383 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -45.97 88.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.065 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.479 HG22 ' OD1' ' A' ' 51' ' ' ASN . 77.1 mt -66.74 -39.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.767 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.582 ' NE1' HD22 ' A' ' 13' ' ' LEU . 86.7 t90 -62.57 -45.19 94.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.3 m-85 -63.95 -48.73 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.61 -40.87 96.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.647 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' OD1' HG22 ' A' ' 47' ' ' ILE . 7.4 m120 -67.78 -36.77 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -66.13 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 35.7 ttt-85 -64.85 -35.73 82.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.89 -25.97 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.401 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 6.6 mmpt? -79.74 -2.76 44.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.553 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.502 HD13 ' HE ' ' A' ' 24' ' ' ARG . 46.7 mt -76.43 -72.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.719 0.295 . . . . 0.0 111.39 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.68 -170.08 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -99.24 23.16 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.75 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.844 0.354 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -135.17 119.84 18.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.8 101.92 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -83.56 -41.86 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -172.31 55.27 0.21 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.83 -167.39 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.454 2.102 . . . . 0.0 112.212 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.46 -158.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.493 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 44' ' ' GLN . 2.2 t -104.92 -34.27 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 111.056 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.55 81.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.67 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.34 157.5 26.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.209 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -106.15 160.49 15.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -53.46 -42.34 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.32 -40.73 85.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.81 -45.8 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD22 ' NE1' ' A' ' 48' ' ' TRP . 4.9 mt -66.44 -35.48 80.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.243 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.19 95.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.384 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -49.58 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.6 mt -61.34 -36.04 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.414 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -61.98 -46.11 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -61.39 -45.18 95.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.41 -40.53 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 21.5 t80 -62.33 -37.68 86.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.693 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.52 -27.61 69.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.97 -35.84 25.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.74 123.47 5.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.746 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -73.22 -3.99 30.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.686 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.2 m-85 -108.32 179.95 4.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.518 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 mt -145.77 126.4 14.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 111.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -93.52 164.6 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.924 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.51 -47.92 72.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 0.0 109.985 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -60.14 -40.62 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.469 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.31 -44.58 75.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.523 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -63.83 -47.54 80.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -39.26 85.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.95 -49.15 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -39.57 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.638 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.4 p -60.66 -47.11 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -68.95 -39.81 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.451 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.32 62.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.724 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.0 mt -85.22 -11.12 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.62 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 32.0 63.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -110.02 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -82.83 135.72 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.31 -42.04 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.494 ' HG2' HG21 ' A' ' 6' ' ' THR . 1.1 mp0 -68.46 -41.95 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 35' ' ' SER . 22.3 mt -65.74 -42.45 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.237 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -58.82 -45.96 88.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.476 HG22 ' OD1' ' A' ' 51' ' ' ASN . 54.9 mt -64.23 -39.94 87.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.642 ' NE1' HD22 ' A' ' 13' ' ' LEU . 91.1 t90 -61.69 -47.18 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.726 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.86 -42.0 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.71 99.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.476 ' OD1' HG22 ' A' ' 47' ' ' ILE . 27.8 m120 -67.0 -40.99 87.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.758 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -67.59 -39.67 84.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.73 -18.45 64.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.402 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 51' ' ' ASN . . . -69.88 -21.09 63.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.585 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 -46.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.645 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 52' ' ' LYS . 2.6 mt 79.34 -60.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 126.71 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.8 149.26 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 90.54 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 62.13 149.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.05 165.36 19.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 67.48 90.57 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 151.51 50.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.474 2.116 . . . . 0.0 112.102 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.64 38.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.1 p -135.54 -67.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.93 60.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.117 0.484 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -113.09 161.61 16.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -114.18 161.1 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -53.44 -46.72 69.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.71 -40.25 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 16' ' ' LEU . 65.4 mt-30 -66.76 -42.89 85.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.8 mt -66.56 -37.27 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.54 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.77 89.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.326 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 45' ' ' ILE . 3.1 mt -63.3 -37.51 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.789 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 14.8 tttt -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -43.06 96.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.61 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 34' ' ' LEU . 1.2 mt-10 -65.93 -44.87 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 22.3 t80 -64.93 -32.83 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -83.11 -34.53 26.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.59 109.14 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -73.09 2.06 7.85 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.924 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 18.9 m-85 -109.48 124.51 51.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 26' ' ' LEU . 10.0 mt -94.07 -177.28 4.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.342 0.591 . . . . 0.0 111.505 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -150.47 169.19 22.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.585 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.21 -50.89 69.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.1 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.516 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 34' ' ' LEU . 5.3 mtp180 -68.17 -39.96 82.41 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -64.07 -54.54 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -35.22 79.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.91 -52.88 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -61.5 -36.15 79.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.541 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.3 m -60.76 -49.52 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -70.82 -40.59 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.264 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.01 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.956 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 76.9 mt -85.25 -12.11 53.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.795 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.86 53.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.32 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.35 164.22 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.88 134.91 35.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 45' ' ' ILE . 50.8 mt-10 -50.56 -36.74 35.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -69.43 -44.9 70.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 16' ' ' LEU . 4.2 mt -64.49 -42.78 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -58.77 -45.99 88.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.2 mt -65.68 -37.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.5 t90 -61.2 -46.98 88.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.88 -43.8 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -43.23 98.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.2 -42.11 93.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.38 -28.34 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HD3' ' CE1' ' A' ' 25' ' ' TYR . 3.4 mtm180 -70.96 -34.85 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.17 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.536 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 5.9 mttm -74.0 -50.96 17.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.583 ' H ' HD12 ' A' ' 56' ' ' ILE . 4.2 mp -78.14 -41.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.71 -178.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -90.25 -50.11 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.5 ttp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.824 0.345 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -147.04 125.96 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -93.47 -31.36 14.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 149.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.268 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.478 ' HD2' ' HD2' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -124.48 143.66 43.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' HD2' ' HD2' ' A' ' 3' ' ' ARG . 55.8 Cg_exo -52.73 114.52 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.473 2.115 . . . . 0.0 112.358 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -140.9 97.17 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 108.68 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.53 98.75 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.476 ' CE1' HD22 ' A' ' 40' ' ' LEU . 8.4 m-85 -124.65 -167.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.061 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.682 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.4 p -113.96 155.09 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -38.92 64.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.631 ' HB3' HD13 ' A' ' 38' ' ' LEU . 72.8 mt-30 -66.78 -31.9 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.709 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 9' ' ' SER . 3.5 mm? -65.04 -42.71 94.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.168 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.79 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -47.08 86.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 9.7 mt -60.86 -44.43 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.393 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -61.31 -39.41 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -61.37 -45.93 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.31 -34.84 79.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.518 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 75.0 t80 -64.61 -40.02 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.399 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.78 -26.15 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.817 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -158.51 121.02 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -73.61 2.28 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -124.82 131.55 53.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 26' ' ' LEU . 8.9 mt -95.76 -179.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.225 0.536 . . . . 0.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -145.97 169.16 19.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.463 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -50.04 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.964 0.411 . . . . 0.0 110.244 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -58.85 -45.58 89.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -66.71 -41.72 87.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -52.56 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.69 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -51.99 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.663 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.96 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.517 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -60.75 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.68 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -38.32 77.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.47 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -58.62 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.882 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 12' ' ' GLN . 10.8 mt -85.28 -13.69 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.847 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.21 41.32 39.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.359 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD22 ' CE1' ' A' ' 8' ' ' PHE . 13.7 mt -113.73 170.81 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' HB2' ' HG3' ' A' ' 44' ' ' GLN . 5.6 m120 -82.86 133.05 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.48 -39.33 47.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.19 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 14.4 mt-30 -69.71 -36.4 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 35' ' ' SER . 46.5 mt -67.85 -46.08 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.539 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mt -66.05 -37.15 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.8 t90 -60.57 -48.65 80.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.725 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.9 m-85 -63.99 -45.25 89.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.4 -41.43 98.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.741 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -71.25 -31.58 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -67.42 -32.41 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.807 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -48.19 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.59 -21.13 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.392 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -73.95 -25.98 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mt -112.16 74.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -79.71 97.92 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 99.57 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.865 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.77 0.319 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.85 164.58 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.47 79.25 2.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -118.4 75.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 119.53 0.58 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.08 130.52 41.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.438 2.092 . . . . 0.0 112.168 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.38 33.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -136.78 21.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.08 112.9 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 31.2 m-85 -114.12 -160.9 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.724 ' O ' HD23 ' A' ' 13' ' ' LEU . 3.3 p -108.28 155.66 20.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -53.45 -38.11 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -49.3 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.76 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.762 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.45 -49.02 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.268 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.89 99.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -63.41 -50.2 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 12.4 mt -60.68 -45.23 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.03 -38.28 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -44.29 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.342 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -68.7 -34.66 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.3 -35.6 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.807 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.9 -31.77 72.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.08 -33.64 26.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.453 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 12.4 p-10 -157.36 122.04 4.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.546 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -73.09 -3.86 28.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 11.0 m-85 -110.51 -170.62 1.68 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.751 0.31 . . . . 0.0 110.544 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.1 mt -149.77 131.4 14.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 111.157 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.58 165.07 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -49.72 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.046 0.451 . . . . 0.0 110.194 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.87 -38.9 79.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.13 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.7 tpm_? -69.74 -48.83 57.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.281 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -44.59 96.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.609 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 16.0 pt20 -67.45 -40.26 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -45.39 78.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.61 -39.62 94.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.632 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' ILE . 19.8 p -60.66 -48.43 81.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.94 -48.32 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.701 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -42.48 93.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 5.8 mt -85.23 -21.33 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.47 31.81 40.11 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.339 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 171.47 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -82.24 139.67 34.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 45' ' ' ILE . 20.6 mt-10 -51.77 -39.49 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -42.09 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -64.99 -44.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.431 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -45.6 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.58 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.997 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 61.8 t90 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.711 0.291 . . . . 0.0 110.628 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.01 -47.6 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.15 96.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.747 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -70.57 -35.21 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 5.1 tmtm? -66.16 -39.54 89.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.717 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -31.44 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.766 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.8 -17.79 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.368 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.05 -30.28 62.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 mt -76.17 -54.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -75.27 64.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.714 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -80.46 149.4 30.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.37 -176.4 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -77.13 -50.63 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -177.74 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.1 92.37 12.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.85 -49.08 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.462 2.108 . . . . 0.0 112.491 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.09 155.09 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' NE2' ' A' ' 44' ' ' GLN . 1.3 p -92.73 109.62 21.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.14 92.35 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -76.91 -174.16 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 p -120.59 158.54 27.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.48 -40.84 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.474 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -45.57 92.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.57 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.0 mt-30 -66.85 -31.55 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -65.19 -50.1 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.612 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -46.45 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 12' ' ' GLN . 14.6 mt -64.87 -42.05 95.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.04 -35.66 80.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.679 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -50.98 59.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -41.43 97.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 51.0 t80 -61.93 -41.56 98.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.59 -26.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -83.04 -37.81 23.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -158.95 119.48 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 mtp180 -73.17 0.43 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.721 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -116.57 136.29 53.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.786 0.327 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.4 mt -99.9 179.53 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.31 0.576 . . . . 0.0 111.445 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.5 p -146.93 167.69 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.448 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -56.16 -48.07 77.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.03 0.443 . . . . 0.0 110.098 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -59.34 -46.53 88.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.335 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.677 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -66.93 -42.05 85.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.65 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -52.07 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.116 0.484 . . . . 0.0 110.734 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.296 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -66.94 -41.75 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.823 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -63.12 -43.24 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.74 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.981 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -70.55 -40.87 73.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.95 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.6 OUTLIER -69.02 -54.14 16.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.987 -178.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 34' ' ' LEU . 41.9 mt -85.17 -15.98 41.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.675 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.33 45.22 19.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.436 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD ' ' A' ' 12' ' ' GLN . 7.5 mt -124.65 170.71 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -82.81 140.4 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.0 mt-10 -51.73 -41.64 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.77 74.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' NE2' HG22 ' A' ' 6' ' ' THR . 51.6 mt-30 -69.26 -44.84 71.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.2 mt -65.94 -41.44 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.31 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -45.93 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.87 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 40.1 mt -66.98 -40.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.473 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 54.8 t90 -60.61 -44.94 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.06 -48.31 76.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.29 -42.1 99.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -66.61 -37.21 84.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -36.56 83.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.647 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.32 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.62 -20.94 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.426 HD11 ' CE2' ' A' ' 20' ' ' PHE . 41.5 mt -66.66 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -85.09 56.35 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.79 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -94.09 -51.1 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.852 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 25.4 mtp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -158.78 109.36 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.14 -57.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.27 -170.96 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.59 154.19 83.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.18 -33.61 4.29 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.602 2.201 . . . . 0.0 112.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 63.9 134.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 6' ' ' THR . 4.2 t -65.94 109.07 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.81 119.53 35.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -84.91 -176.7 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -95.54 163.31 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.409 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 t -53.4 -46.12 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.853 0.358 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -42.96 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.741 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' HD12 ' A' ' 16' ' ' LEU . 76.8 mt-30 -66.45 -52.27 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -61.59 -36.56 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.621 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.59 85.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -66.11 -44.91 82.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.513 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.0 mt -62.74 -39.47 94.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.709 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.0 -43.63 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.299 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -44.65 94.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.457 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.55 -37.97 88.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 63.2 t80 -63.01 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.744 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -28.62 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.456 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -83.01 -34.23 26.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -156.73 125.49 5.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -73.23 -9.26 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.55 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -112.15 -177.09 3.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.98 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.7 mt -140.25 -175.22 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 p -149.26 164.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.755 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.19 -49.5 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.932 0.396 . . . . 0.0 110.394 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.329 179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.6 ttm180 -67.82 -44.75 76.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.488 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' NE ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 ttp-105 -58.9 -50.85 72.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -40.51 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.518 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -66.9 -47.27 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.686 0.279 . . . . 0.0 110.869 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -60.33 -42.37 95.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.867 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 45' ' ' ILE . 85.5 p -61.04 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -69.79 -38.18 76.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 1.4 tt0 -63.83 -54.14 39.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.6 mt -85.23 -28.83 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.661 0.267 . . . . 0.0 111.438 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.78 42.2 3.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.66 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.9 mt -121.73 171.99 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.622 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.8 134.19 35.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.782 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HA ' HD12 ' A' ' 45' ' ' ILE . 1.7 mt-10 -53.15 -38.09 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.22 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -69.81 -41.9 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 42' ' ' GLU . 11.2 mt -66.96 -42.7 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.301 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' NE ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -58.79 -45.86 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.7 -39.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.657 ' HE1' HD21 ' A' ' 13' ' ' LEU . 81.7 t90 -60.68 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.92 -46.82 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.27 -39.1 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.411 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 2.2 m-80 -71.67 -39.74 70.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.981 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 1.5 tmtt? -66.18 -35.79 81.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.904 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HA ' HG22 ' A' ' 56' ' ' ILE . 53.3 ttp85 -71.02 -35.82 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.914 0.388 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.86 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.478 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.44 -41.12 25.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -179.519 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 53' ' ' ARG . 1.1 tt -63.1 -17.03 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.423 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 mttm 65.09 178.96 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -131.58 -41.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.853 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.831 0.348 . . . . 0.0 111.391 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.42 37.75 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.26 164.47 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 174.3 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 62.62 61.72 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 23.9 Cg_exo -63.72 177.99 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.565 2.177 . . . . 0.0 112.144 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 32.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 34.73 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.707 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.18 86.26 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.8 -179.28 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.752 ' O ' HD23 ' A' ' 13' ' ' LEU . 9.7 p -117.19 151.47 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.547 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -53.32 -38.05 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.538 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.96 83.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.053 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HA ' HD22 ' A' ' 38' ' ' LEU . 34.9 mt-30 -67.86 -31.62 71.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.919 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 9' ' ' SER . 2.9 mm? -63.26 -48.83 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.399 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.03 99.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.586 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 15.4 mt -63.58 -47.42 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -39.51 89.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.53 94.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.393 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.29 -37.9 86.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -65.2 -38.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -66.63 -33.05 74.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.01 -35.61 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.042 0.449 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -156.77 118.57 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 -73.12 -1.51 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -109.08 -179.42 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 110.664 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 45' ' ' ILE . 3.8 mt -146.28 128.84 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -93.6 164.86 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.752 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.73 -46.19 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.089 0.471 . . . . 0.0 110.271 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 5.5 mpt_? -62.39 -39.55 93.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.362 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.7 mtm-85 -69.78 -39.74 76.45 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.7 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG3' HD13 ' A' ' 26' ' ' LEU . 5.6 mtm180 -62.78 -46.79 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.352 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.18 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -66.89 -50.07 63.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.2 mt -62.12 -35.11 77.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.443 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.525 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -61.01 -51.19 70.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.577 179.659 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -46.8 65.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.55 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.53 -41.98 96.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.104 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 12' ' ' GLN . 90.6 mt -85.26 -29.36 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.6 29.62 15.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.197 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD11 ' CD ' ' A' ' 12' ' ' GLN . 1.3 mt -123.24 172.16 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 45' ' ' ILE . 1.5 m120 -82.76 143.71 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.194 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.18 -39.77 57.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.61 -46.78 68.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.541 HG22 HD11 ' A' ' 26' ' ' LEU . 2.5 mp -64.51 -41.06 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.368 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -45.81 89.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 ' OD1' ' A' ' 51' ' ' ASN . 43.6 mt -64.06 -39.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 68.4 t90 -60.68 -43.53 97.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 1.4 m-85 -64.21 -48.51 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.08 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -35.98 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 47' ' ' ILE . 24.8 m120 -70.46 -47.02 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 3.8 tptp -66.49 -29.42 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -71.11 -36.46 72.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.85 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 19.9 mtmt -74.8 -28.09 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.08 83.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -100.23 141.24 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 mttp 54.89 69.67 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.925 0.393 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.08 -66.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -118.33 113.28 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 27.27 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.04 68.7 0.49 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 117.28 5.01 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.529 2.153 . . . . 0.0 112.194 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -177.35 153.51 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.681 HG21 ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -98.52 133.61 42.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.735 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.56 99.04 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -86.05 -175.47 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p -118.52 158.05 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -53.43 -40.1 64.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.993 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -42.3 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -66.81 -41.71 87.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -42.78 94.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.728 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.39 90.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.34 -42.65 87.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' CE3' ' A' ' 48' ' ' TRP . 7.4 mt -62.98 -43.23 99.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -41.63 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -61.06 -44.46 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.83 -38.59 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CD1' ' HD3' ' A' ' 52' ' ' LYS . 64.4 t80 -64.99 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -29.31 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -82.98 -35.3 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -161.15 110.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 27.5 mtm180 -73.1 -2.18 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.891 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -113.32 123.84 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.0 mt -90.2 -177.62 5.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.338 0.59 . . . . 0.0 111.612 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -151.0 171.09 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.575 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.15 -50.75 70.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.97 -45.71 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.514 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.583 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -37.18 84.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.823 0.344 . . . . 0.0 111.266 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' NE ' ' HB3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -62.19 -54.5 40.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.4 -31.87 72.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.041 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -50.64 61.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.45 -42.95 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -48.59 57.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.689 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.52 -42.51 99.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.8 mt -85.21 -52.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.214 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 39.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.149 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.07 178.21 5.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -82.82 140.05 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HB3' ' NE ' ' A' ' 31' ' ' ARG . 46.7 mt-10 -52.55 -41.14 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.74 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.798 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.681 ' CG ' HG21 ' A' ' 6' ' ' THR . 1.9 mp0 -69.21 -38.51 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.81 -46.38 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -45.87 88.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.052 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.21 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.479 ' CE3' HD22 ' A' ' 16' ' ' LEU . 77.0 t90 -60.55 -49.21 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.769 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.1 m-85 -63.91 -45.54 88.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.22 -40.03 84.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.564 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 1.3 t-20 -68.12 -46.09 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.21 -33.0 74.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.97 -24.38 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.41 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 8.4 mmtt -74.02 -37.02 64.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.11 -41.31 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 138.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -59.06 159.06 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.914 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.49 178.83 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -149.2 35.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -118.26 110.5 17.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 114.18 59.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.96 -159.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.49 2.126 . . . . 0.0 112.072 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.42 175.09 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.2 p -84.7 -47.29 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.447 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.87 46.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 111.372 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -110.46 141.78 43.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.935 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 p -101.87 160.27 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.754 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -53.45 -45.06 69.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -37.68 84.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.64 ' O ' HD12 ' A' ' 16' ' ' LEU . 90.6 mt-30 -66.75 -46.75 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.465 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.9 mt -65.29 -35.11 80.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -46.45 88.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.334 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.2 mt -62.72 -35.96 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -62.78 -45.55 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -61.83 -46.06 91.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.27 -37.87 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 59.9 t80 -64.62 -39.43 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -27.83 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -83.11 -33.64 26.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.79 116.95 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.265 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.19 -2.38 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.089 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.1 175.9 5.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.751 0.31 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 45' ' ' ILE . 4.8 mt -142.63 131.35 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 111.159 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -93.55 162.64 13.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.991 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.37 -47.27 72.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.171 0.51 . . . . 0.0 110.022 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -40.35 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.41 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -68.36 -42.87 78.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 -179.456 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.46 -51.62 69.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -40.45 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -66.9 -41.14 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.735 0.303 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 2.2 mt -65.84 -40.54 91.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 45' ' ' ILE . 1.4 t -60.72 -51.6 68.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.748 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -47.29 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -62.57 -45.36 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 12' ' ' GLN . 14.6 mt -85.23 -42.89 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.238 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.43 32.22 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.204 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.14 165.01 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 2.6 t-20 -78.01 137.97 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 45' ' ' ILE . 36.8 mt-10 -50.66 -39.37 50.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.181 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.76 81.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 35.5 mm-40 -69.4 -40.02 77.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -65.56 -44.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.393 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.77 -46.16 88.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.685 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.8 -39.74 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.72 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.465 ' NE1' HD22 ' A' ' 13' ' ' LEU . 87.7 t90 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.462 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -65.81 -48.55 71.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.806 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -63.31 -36.58 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -41.76 79.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.45 -43.7 84.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.18 -37.15 78.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.98 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -76.17 -8.76 57.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.375 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.34 -51.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -86.12 107.19 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.74 91.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.88 147.05 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.9 153.08 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -127.04 -41.39 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -71.17 134.42 85.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.8 178.02 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.388 2.059 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm105 -89.78 142.73 27.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' CE2' ' A' ' 8' ' ' PHE . 9.6 p -147.75 -71.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.48 46.11 15.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.064 0.459 . . . . 0.0 111.231 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 6' ' ' THR . 10.0 m-85 -92.35 -166.82 1.62 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.504 ' O ' HD23 ' A' ' 13' ' ' LEU . 13.6 p -124.86 155.99 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -40.91 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.445 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.01 -45.32 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.035 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.731 ' HG2' HD22 ' A' ' 38' ' ' LEU . 84.0 mt-30 -66.73 -34.83 78.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.106 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 9' ' ' SER . 1.7 mm? -62.86 -48.41 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.291 179.473 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.3 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.28 79.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.518 179.637 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 28.0 mt -63.09 -45.02 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.799 179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -47.56 84.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.08 -31.48 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 81.4 t80 -63.02 -44.05 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.47 -27.1 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -82.95 -35.5 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 121.76 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mtp180 -73.14 -5.28 38.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.634 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -109.58 -177.79 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 mt -146.78 129.28 15.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.419 HG23 HH11 ' A' ' 30' ' ' ARG . 6.7 p -93.51 166.81 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.054 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.42 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.093 0.473 . . . . 0.0 109.91 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.53 -39.34 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.369 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.668 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.49 -46.13 70.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.769 0.319 . . . . 0.0 111.122 -179.45 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -57.57 -48.63 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.379 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.47 -36.13 80.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.471 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -53.06 35.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -38.07 89.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.634 ' HA ' HD11 ' A' ' 45' ' ' ILE . 87.8 p -60.71 -49.8 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.54 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -69.59 -42.44 74.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.379 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.53 -52.5 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.785 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HG2' ' A' ' 12' ' ' GLN . 58.4 mt -85.19 -12.73 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.747 -179.373 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.91 27.91 61.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -108.63 166.53 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -82.9 141.81 31.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -52.65 -39.0 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.91 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.79 -44.43 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.368 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 35' ' ' SER . 25.4 mt -64.99 -41.89 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.28 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -58.89 -45.74 89.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.709 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.87 -39.84 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.747 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.1 t90 -60.66 -46.27 90.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.468 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.3 m-85 -65.99 -41.91 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.08 98.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -35.88 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -70.93 -42.91 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' HA ' HG22 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -70.59 -29.2 65.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -32.5 70.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.992 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -50.25 11.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 53' ' ' ARG . 1.4 tt -55.45 -26.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -56.36 145.33 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -46.98 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -144.38 153.19 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -166.91 150.4 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 -31.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -109.05 84.56 2.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.678 0.275 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -72.81 -76.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.393 2.062 . . . . 0.0 112.424 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.52 137.66 0.16 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.732 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 p 52.16 55.3 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.76 68.99 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.16 0.505 . . . . 0.0 110.971 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.62 170.81 10.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -110.64 160.79 16.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -46.73 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.62 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.425 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.799 ' O ' HD12 ' A' ' 16' ' ' LEU . 88.8 mt-30 -66.65 -45.59 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -66.77 -38.68 87.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.723 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.71 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -66.02 -52.07 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -61.25 -39.92 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.799 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -62.92 -44.18 96.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -60.17 -42.73 95.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.705 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.26 -34.87 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.616 179.627 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -65.13 -38.89 92.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.45 -31.68 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.03 -34.38 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.19 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -156.77 116.27 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.546 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 mtt85 -73.18 -4.01 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.655 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.59 -178.19 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.5 mt -145.09 176.99 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 p -146.51 165.02 30.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.656 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.07 -51.08 69.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -60.18 -36.4 77.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.133 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.4 ttm180 -70.57 -48.23 56.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -59.2 -47.03 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.605 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -67.48 -35.3 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.91 -51.89 49.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.705 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.4 mp -64.76 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.025 0.441 . . . . 0.0 110.273 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 -49.31 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -70.35 -46.45 64.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.643 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.56 -46.16 89.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.059 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.27 -50.15 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.329 . . . . 0.0 111.297 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.06 45.76 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.73 164.93 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.798 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -80.49 139.72 36.26 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.897 ' HA ' HD12 ' A' ' 45' ' ' ILE . 27.0 mt-10 -50.64 -36.86 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.108 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.02 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 47' ' ' ILE . 4.8 mm-40 -69.36 -40.51 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.365 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 42' ' ' GLU . 6.6 mt -64.54 -43.5 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.091 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.86 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.762 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 44' ' ' GLN . 17.5 mt -62.19 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.737 ' HE1' HD21 ' A' ' 13' ' ' LEU . 89.3 t90 -60.64 -48.13 83.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -43.87 94.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.35 -42.06 98.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.76 -36.23 78.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 2.6 tttm -67.8 -29.75 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -69.23 -42.26 75.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.85 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -78.92 -25.71 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.423 HD12 ' HD3' ' A' ' 52' ' ' LYS . 39.9 mt -112.96 74.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -158.42 74.19 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.79 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -81.29 163.27 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.5 mtm . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.88 0.371 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.32 126.67 28.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.79 95.42 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -119.51 153.61 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -83.86 126.09 71.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 37.7 Cg_exo -57.19 138.6 87.01 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.378 2.052 . . . . 0.0 112.162 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -171.1 161.03 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.83 124.45 29.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.325 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -99.23 -170.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -115.93 157.63 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -53.39 -45.08 69.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.62 -38.52 87.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 16' ' ' LEU . 56.3 mt-30 -66.8 -46.15 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mt -65.07 -35.59 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.4 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -66.58 -44.9 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.9 mt -61.68 -38.89 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.534 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -63.03 -46.01 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.0 94.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.94 -37.67 79.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 41.7 t80 -63.57 -36.79 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.775 179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.64 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.96 -34.05 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -157.15 118.93 3.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -73.09 -5.31 38.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.62 -176.17 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.603 0.239 . . . . 0.0 110.463 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.7 mt -148.71 129.93 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 111.48 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -93.59 166.83 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.981 178.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.11 -51.25 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.234 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -60.54 -36.71 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -46.14 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.02 0.438 . . . . 0.0 110.892 -179.761 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' CD ' ' HG3' ' A' ' 46' ' ' LYS . 21.9 ttp180 -61.46 -54.55 41.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.88 -40.11 87.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.85 -47.79 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD23 ' A' ' 16' ' ' LEU . 3.2 mp -62.17 -35.39 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.161 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.679 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.0 p -60.67 -51.45 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.399 179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -36.83 76.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.443 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.09 -49.19 65.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.06 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 12' ' ' GLN . 53.9 mt -85.19 -28.48 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.517 -179.078 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.28 33.92 6.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 38' ' ' LEU . 1.1 mt -124.53 174.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.65 32.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.959 0.409 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.764 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.2 mp0 -51.27 -41.75 60.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.66 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -68.88 -42.05 77.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.4 mt -66.12 -41.04 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.182 179.166 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -45.59 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.326 179.286 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 17.6 mt -63.18 -41.1 91.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.51 ' NE1' HD22 ' A' ' 13' ' ' LEU . 89.1 t90 -60.16 -47.62 85.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.2 m-85 -63.96 -45.92 86.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.36 97.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.582 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -70.23 -36.52 74.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.767 179.855 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -41.2 90.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.875 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -64.75 -37.12 86.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.47 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.25 -20.93 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -74.19 -37.78 63.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.722 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 mt -85.51 -52.61 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 61.53 171.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -26.62 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.872 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.817 0.341 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.98 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.704 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -91.18 40.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.871 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -124.31 -60.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -125.09 101.83 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.97 -179.14 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.476 2.117 . . . . 0.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.705 ' HG2' HG22 ' A' ' 6' ' ' THR . 0.0 OUTLIER -76.03 -29.96 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.108 -179.808 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.705 HG22 ' HG2' ' A' ' 5' ' ' ARG . 7.1 t -178.78 124.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.35 103.61 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -85.28 167.4 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -108.1 160.96 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -46.64 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.45 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' O ' HD12 ' A' ' 16' ' ' LEU . 93.5 mt-30 -66.88 -45.6 77.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 13' ' ' LEU . 4.5 mt -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.39 90.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -46.51 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.4 mt -63.03 -39.23 94.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -46.67 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -38.15 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -39.98 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.659 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 28.5 t80 -62.31 -38.75 90.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -28.42 69.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.92 -38.36 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -157.25 103.78 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -73.16 -0.6 14.65 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.758 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 115.18 29.67 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.639 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 7.4 mt -90.36 174.08 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.295 0.569 . . . . 0.0 111.462 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 30' ' ' ARG . 20.8 p -146.43 170.74 16.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.448 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.1 -51.1 69.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -60.43 -42.89 96.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.437 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HB2' ' H ' ' A' ' 27' ' ' THR . 2.1 mtp85 -66.73 -39.68 88.05 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.085 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -63.43 -51.78 64.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 0.0 110.588 179.885 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -35.73 82.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.98 -49.29 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.674 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD23 HD23 ' A' ' 16' ' ' LEU . 1.9 mp -60.04 -41.01 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -48.81 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -37.28 77.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.724 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -54.38 40.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.988 -179.099 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.3 -46.6 10.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.59 42.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.37 173.37 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.66 136.67 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -52.05 -39.73 60.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.9 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -43.32 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.5 mt -66.71 -41.21 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.407 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.5 tmtm? -58.73 -46.1 88.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.87 -37.79 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 82.6 t90 -60.63 -51.74 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.2 m-85 -63.92 -41.71 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -68.42 -41.37 80.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -68.23 -40.61 82.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.51 179.717 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -66.11 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.735 179.81 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.97 -16.68 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.496 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -31.18 62.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.719 0.295 . . . . 0.0 111.011 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 53' ' ' ARG . 2.6 mt -74.5 -68.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.07 -175.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -112.79 166.51 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.925 -179.945 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -116.8 128.61 55.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.88 36.69 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -74.45 -43.65 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 100.38 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.07 141.46 11.76 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.601 2.2 . . . . 0.0 112.159 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.9 105.91 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -121.28 74.93 1.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.28 45.57 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.126 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -101.12 159.65 15.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.801 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 p -102.92 160.44 14.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.35 -41.18 65.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.13 -44.89 78.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.64 -43.21 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.536 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.6 mt -66.84 -35.6 80.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.6 85.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -64.19 -47.63 79.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.666 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.9 mt -61.87 -41.85 98.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.95 -40.94 99.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.522 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.72 88.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.327 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.28 -32.2 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 24' ' ' ARG . 76.6 t80 -65.23 -38.66 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.007 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -62.54 -31.35 72.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.0 -33.12 26.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.34 109.49 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.626 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 7.6 ptp180 -73.21 0.19 12.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.837 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 1.7 m-85 -101.07 -173.75 2.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 45' ' ' ILE . 5.2 mt -149.69 -179.97 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.215 0.531 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 p -152.07 165.48 34.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.17 -51.15 69.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.394 . . . . 0.0 110.476 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.54 91.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.255 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -67.0 -43.31 83.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.617 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -60.6 -47.0 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -38.54 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -50.58 56.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 38' ' ' LEU . 18.6 mt -65.41 -37.27 86.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 45' ' ' ILE . 60.5 p -60.68 -50.96 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.758 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.8 m -69.64 -46.06 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.635 -179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.26 -46.36 84.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.125 -178.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 34' ' ' LEU . 71.6 mt -85.21 -22.7 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.0 34.78 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.837 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.9 mt -124.7 164.61 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.618 0.246 . . . . 0.0 110.562 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.486 HD22 ' HB3' ' A' ' 43' ' ' ALA . 5.8 p-10 -82.9 146.61 28.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.165 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -50.48 -38.53 44.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.325 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -64.66 -35.97 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -44.74 70.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.665 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 35' ' ' SER . 4.6 mt -64.75 -42.36 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.44 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -46.0 88.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.67 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.4 t90 -60.66 -46.44 90.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.46 -43.4 90.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -41.36 98.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.89 -40.97 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 1.1 tptp -66.74 -32.34 73.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.782 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -66.56 -36.85 83.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.791 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -11.76 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.459 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -74.08 -44.9 52.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.8 mp -88.06 -42.26 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -90.05 103.42 16.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.728 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -32.93 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.353 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.971 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.812 0.339 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -53.42 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.26 -41.09 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.539 ' CD ' HD11 ' A' ' 40' ' ' LEU . 81.0 mt-30 -66.78 -46.69 74.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.66 -36.5 84.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.354 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.22 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.93 -48.58 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' GLN . 6.0 mt -59.81 -41.05 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.618 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -39.11 93.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.176 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -61.13 -45.63 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.302 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -65.32 -39.23 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 67.3 t80 -64.94 -35.43 81.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -83.03 -34.25 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.513 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -160.73 127.29 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -73.12 -1.22 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.959 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.42 -175.8 2.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.79 0.329 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.4 mt -149.16 134.37 18.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -93.62 161.92 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.008 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -49.77 68.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.469 . . . . 0.0 110.296 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.29 -40.48 86.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.458 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -67.33 -42.5 83.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -51.98 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.44 . . . . 0.0 110.751 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -36.28 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.519 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 mm-40 -66.87 -46.01 76.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.05 -43.72 97.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -47.71 85.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.999 0.428 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.9 t -70.39 -36.75 74.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.72 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.66 -56.06 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.24 -33.52 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.382 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.23 45.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.402 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' CD ' ' A' ' 12' ' ' GLN . 6.2 mt -123.43 168.28 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -80.49 132.78 35.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 45' ' ' ILE . 37.9 mt-10 -52.08 -35.56 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.08 86.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HG3' ' CB ' ' A' ' 41' ' ' ASN . 1.2 mt-30 -69.68 -41.83 74.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.1 mt -64.94 -44.96 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -58.74 -46.01 88.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.59 -37.09 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.652 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.0 t90 -60.65 -43.47 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 1.4 m-85 -68.85 -42.47 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.12 -39.18 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -37.98 71.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.0 tptt -66.72 -34.94 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.727 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.519 ' O ' HD23 ' A' ' 13' ' ' LEU . 16.2 p . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.694 0.283 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -37.89 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.05 -46.74 87.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.108 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.7 mt-30 -68.47 -31.78 71.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.04 0.447 . . . . 0.0 109.911 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' SER . 2.2 mm? -64.64 -49.08 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.799 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.29 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 1.4 mtt-85 -63.67 -43.77 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.3 mt -63.87 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.448 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -60.92 -37.16 81.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -47.11 84.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.02 -37.67 86.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 52.7 t80 -65.22 -38.91 91.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -29.03 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -83.02 -35.16 26.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -159.03 116.74 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.676 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 29.9 mtt180 -73.16 -5.87 42.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.784 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -103.59 177.14 4.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.7 mt -141.43 -177.09 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.279 0.561 . . . . 0.0 111.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -154.82 165.9 35.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.755 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -51.31 68.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.02 -37.52 82.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.174 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB3' HD22 ' A' ' 26' ' ' LEU . 5.3 mmt-85 -68.61 -44.99 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NE ' ' HG3' ' A' ' 46' ' ' LYS . 7.4 ttm105 -61.83 -47.35 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.95 -41.24 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 38' ' ' LEU . 5.2 mt -66.05 -43.76 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -60.71 -45.8 92.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.91 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.539 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.21 -48.86 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 34' ' ' LEU . 18.2 mt -85.17 -26.63 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 111.47 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.51 34.56 8.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.062 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.52 172.07 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.039 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.83 140.79 32.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.3 mt-10 -52.1 -39.35 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -69.67 -41.26 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mt -67.44 -42.47 87.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -58.72 -45.99 88.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.85 -38.46 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 78.9 t90 -61.59 -44.3 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.95 -50.3 69.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.76 98.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -67.5 -45.32 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 13' ' ' LEU . 10.3 p . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.619 0.247 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -53.42 -38.13 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.38 -48.76 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.184 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 38' ' ' LEU . 33.9 mt-30 -66.79 -31.64 72.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.929 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -63.14 -50.02 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.288 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.784 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.93 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -64.18 -42.17 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.596 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -62.98 -40.94 99.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -45.51 93.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -68.47 -38.17 80.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 24' ' ' ARG . 57.1 t80 -63.27 -37.81 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.53 -28.44 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.97 -37.79 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -156.8 124.17 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 6.7 mtm105 -73.16 -3.5 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.079 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -109.02 -172.91 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 31' ' ' ARG . 5.8 mt -146.8 176.93 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 111.177 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -147.36 162.8 38.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -48.25 76.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.058 0.456 . . . . 0.0 110.387 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.098 179.465 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -69.77 -50.29 44.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' HD13 ' A' ' 26' ' ' LEU . 2.7 ttm180 -57.46 -42.38 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' A' ' 33' ' ' GLN . 6.6 pt20 -67.46 -39.22 85.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.982 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 4.3 mm100 -67.04 -51.98 48.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.8 mt -61.58 -37.34 83.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -50.39 73.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -42.79 74.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.768 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.93 -49.14 69.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 12' ' ' GLN . 46.5 mt -85.14 -17.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.41 29.05 41.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.644 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD11 ' CD ' ' A' ' 12' ' ' GLN . 2.3 mt -114.02 165.04 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.486 ' HB3' ' HG3' ' A' ' 44' ' ' GLN . 14.4 t-20 -82.07 141.7 32.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 111.099 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.02 -33.59 52.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.903 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 41' ' ' ASN . 2.8 mt-30 -68.85 -42.63 76.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.532 HG22 HD11 ' A' ' 26' ' ' LEU . 21.2 mt -64.54 -43.54 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.91 88.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.44 -37.38 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 70.5 t90 -61.89 -50.34 72.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -63.87 -41.91 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.593 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -43.05 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -34.44 70.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 19.3 tptt -66.29 -40.16 89.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.38 -39.98 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.26 -40.46 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.671 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 40' ' ' LEU . 91.4 mt-30 -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.5 mt -63.66 -34.09 77.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.541 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.49 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.52 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 34' ' ' LEU . 4.7 mt -60.39 -40.6 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.663 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.88 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.487 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' OE1' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.06 -41.65 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 53.1 t80 -63.1 -37.61 87.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.25 -29.95 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.08 -35.21 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.56 116.79 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -73.32 1.72 8.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.842 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -121.73 129.54 52.78 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.797 0.332 . . . . 0.0 110.359 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.7 mt -92.97 -177.76 4.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.392 0.615 . . . . 0.0 111.631 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -149.03 167.47 25.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.434 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.69 -50.86 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 0.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -39.62 87.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.379 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.774 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.23 -42.89 75.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.34 -179.307 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.79 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -66.95 -50.81 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 16' ' ' LEU . 8.6 mp -65.71 -36.9 84.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -60.76 -49.72 76.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -68.9 -41.68 77.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.588 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -56.18 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.016 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 12' ' ' GLN . 79.9 mt -85.27 -9.93 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.718 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 38.04 70.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' CD ' ' A' ' 12' ' ' GLN . 4.8 mt -111.84 168.83 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 132.65 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.781 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 12.3 mt-10 -50.92 -38.5 50.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.351 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -69.74 -39.05 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.665 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 35' ' ' SER . 33.5 mt -65.76 -46.18 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.498 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -45.79 88.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.604 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 51' ' ' ASN . 33.2 mt -63.34 -37.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.504 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.8 t90 -64.18 -43.02 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.6 m-85 -67.82 -45.02 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -63.3 -38.46 91.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 47' ' ' ILE . 12.7 m120 -71.77 -36.81 70.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 7.6 mptt -66.84 -31.83 72.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.524 -0.02 0 CA-C-O 120.782 0.325 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -53.37 -46.14 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.85 -40.67 91.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.516 ' HB3' HD11 ' A' ' 40' ' ' LEU . 83.2 mt-30 -66.09 -45.52 80.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 13' ' ' LEU . 3.2 mt -66.54 -36.73 83.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.347 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.76 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.461 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.32 -51.36 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.549 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 34' ' ' LEU . 6.7 mt -59.94 -38.07 81.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.668 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -63.02 -43.67 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.8 93.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -40.41 93.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.528 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 74.0 t80 -65.26 -34.99 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.789 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.37 -29.93 70.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -83.07 -38.61 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.79 120.85 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 8.9 mtt85 -73.07 -2.48 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.94 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.36 130.44 55.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.312 . . . . 0.0 110.533 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.9 mt -99.32 -177.83 3.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.322 0.582 . . . . 0.0 111.482 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -148.22 167.22 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.325 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.66 -51.06 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.943 0.401 . . . . 0.0 110.195 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -37.3 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.976 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.752 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.36 -49.84 62.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.212 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -58.74 -51.87 68.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.608 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.76 -35.75 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.92 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.489 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.2 p -61.11 -51.14 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -69.85 -39.15 76.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -62.62 -57.32 11.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.823 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 15' ' ' ARG . 36.0 mt -85.34 -12.6 51.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.552 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.46 30.67 44.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 12' ' ' GLN . 8.1 mt -103.87 169.6 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -82.89 131.46 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.1 mp0 -50.51 -41.12 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 86.8 mm-40 -69.72 -35.14 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 42' ' ' GLU . 7.6 mt -68.27 -46.99 80.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.358 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -45.81 89.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.35 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 92.9 t90 -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.4 m-85 -64.02 -47.68 79.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.15 -39.8 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.89 -38.32 79.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.725 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 4.2 tptt -67.26 -36.14 80.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HG2' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.156 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -43.66 68.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.61 -40.5 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.74 -43.51 83.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD22 ' HE1' ' A' ' 48' ' ' TRP . 2.6 mt -66.81 -34.69 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.68 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.615 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.22 -49.78 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.5 mt -61.92 -37.03 83.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -62.73 -45.08 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -44.43 96.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -38.32 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.609 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 71.0 t80 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.48 -28.71 70.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -83.08 -32.7 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -156.78 125.69 5.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.431 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -73.15 -13.62 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.746 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -108.2 -172.05 1.98 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.8 mt -146.9 135.89 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -93.6 166.49 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.669 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -50.78 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.163 0.506 . . . . 0.0 110.078 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.75 -40.26 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.445 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -66.82 -40.71 88.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.87 41.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.41 -31.99 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 1.5 mm-40 -67.13 -53.26 32.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.8 mt -64.21 -34.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 45' ' ' ILE . 20.2 p -60.7 -51.58 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.569 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -42.98 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.744 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -62.61 -45.57 92.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.667 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.25 -56.72 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.8 44.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' SER . 2.0 mp -133.43 173.02 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.753 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.82 144.11 30.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' HA ' HD12 ' A' ' 45' ' ' ILE . 52.2 mt-10 -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.75 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.036 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.5 -43.18 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.6 mt -67.48 -40.9 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.979 0.419 . . . . 0.0 110.323 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -58.76 -45.75 89.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.396 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 16.6 mt -65.31 -39.37 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.3 t90 -60.68 -46.7 89.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.7 m-85 -63.83 -47.13 82.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.33 -39.35 94.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.917 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 2.5 t-20 -67.64 -34.32 76.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.15 -43.32 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.661 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.573 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.6 p . . . . . 0 CA--C 1.523 -0.077 0 CA-C-O 120.675 0.274 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.41 -36.6 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.395 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.23 -48.62 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' HD13 ' A' ' 38' ' ' LEU . 71.3 mt-30 -66.92 -32.0 72.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.778 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.7 -45.39 90.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.174 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.72 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.642 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -46.98 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.3 mt -60.05 -44.6 94.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 1.4 mtmm -62.91 -34.25 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -63.67 -49.15 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -36.25 83.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -65.27 -35.77 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.819 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.0 -36.0 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -162.21 128.62 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -6.7 47.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.479 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -100.67 179.1 4.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.6 mt -142.32 -175.19 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.153 0.501 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -154.79 166.84 32.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.692 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.09 -51.07 69.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 3.6 mmp_? -60.56 -35.51 76.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.804 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -71.99 -47.3 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -43.06 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 2.2 pp0? -66.88 -35.27 79.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -67.07 -47.46 71.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -65.86 -42.79 89.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.03 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.453 ' CA ' HD11 ' A' ' 45' ' ' ILE . 12.0 p -60.65 -47.22 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -71.12 -50.75 30.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.671 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.44 -42.82 98.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.197 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD11 HD23 ' A' ' 34' ' ' LEU . 55.5 mt -85.32 -43.87 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.334 . . . . 0.0 111.308 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.82 41.34 2.0 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.272 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.86 172.05 11.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -82.81 140.86 32.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.41 -39.9 61.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.95 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -39.87 78.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.394 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' CA ' ' A' ' 35' ' ' SER . 49.7 mt -66.62 -43.6 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.304 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.79 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 28.1 mt -62.49 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.773 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 83.5 t90 -60.62 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.07 -47.84 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.489 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.44 -42.34 98.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.007 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.08 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 9.7 tptt -66.15 -39.65 89.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.699 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.708 179.786 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.705 ' O ' HD23 ' A' ' 13' ' ' LEU . 21.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.59 0.234 . . . . 0.0 110.747 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -40.56 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.732 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.56 -47.46 86.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.141 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.445 ' HG2' HD22 ' A' ' 38' ' ' LEU . 54.7 mt-30 -66.83 -31.53 72.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 9' ' ' SER . 3.4 mm? -64.97 -47.42 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.708 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.95 81.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.5 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.0 mmt85 -65.18 -43.27 92.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 18.9 mt -63.77 -45.98 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -62.05 -39.6 92.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -62.19 -45.33 93.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.79 -40.01 95.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 t80 -65.12 -39.04 92.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.54 -28.83 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -83.05 -39.11 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.22 110.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -73.14 -3.15 24.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.3 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -107.2 118.33 36.43 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 30' ' ' ARG . 9.3 mt -90.3 -177.94 5.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.372 0.606 . . . . 0.0 111.343 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -152.74 170.39 20.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.564 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.13 -51.16 68.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.139 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -60.47 -41.07 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.278 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.804 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -67.41 -42.87 82.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.481 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -61.67 -49.66 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.339 . . . . 0.0 111.021 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -41.94 95.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -66.99 -43.97 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -64.36 -38.46 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.298 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.754 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.9 p -60.62 -51.11 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -69.52 -44.12 71.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.627 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.64 -41.87 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.799 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 15' ' ' ARG . 7.7 mt -85.22 -58.81 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.2 42.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.192 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.3 mt -139.38 174.71 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.629 0.252 . . . . 0.0 110.75 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.441 HD22 ' HB3' ' A' ' 43' ' ' ALA . 7.1 p-10 -82.87 142.32 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -51.52 -37.16 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -63.15 -37.52 87.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -42.77 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.4 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 35' ' ' SER . 8.7 mt -66.6 -41.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -58.82 -45.83 89.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.961 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 80.3 t90 -60.91 -50.69 72.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.2 m-85 -63.93 -43.42 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.562 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -41.48 98.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.738 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.74 -38.82 90.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 53' ' ' ARG . 20.4 mtm105 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.759 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.7 p . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.526 0.203 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -53.46 -37.17 62.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -49.02 75.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.526 ' O ' HD12 ' A' ' 16' ' ' LEU . 61.2 mt-30 -66.71 -31.37 71.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 9' ' ' SER . 2.8 mm? -62.45 -49.31 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.698 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.28 -47.59 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.5 mt -62.55 -42.62 99.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.56 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -40.97 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.677 179.642 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -46.26 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.576 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.35 -35.79 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 66.6 t80 -65.19 -38.88 91.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -62.49 -29.99 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.04 -39.94 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.87 119.66 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.15 -5.07 36.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.547 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -103.59 -175.99 2.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 45' ' ' ILE . 8.0 mt -144.33 179.18 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.22 0.533 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -146.84 167.23 24.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.495 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -51.07 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 0.0 110.192 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.77 -40.43 92.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.455 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.1 tpt85 -68.58 -41.13 80.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -47.4 84.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.891 0.377 . . . . 0.0 110.775 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -39.97 86.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.9 -46.35 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.97 -42.68 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.8 p -60.7 -44.21 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -47.87 62.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.494 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.09 -49.26 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.901 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.17 -12.2 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.01 34.41 70.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.382 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.04 167.03 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.36 140.5 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 45' ' ' ILE . 71.2 mt-10 -50.71 -42.31 56.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.17 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -69.5 -42.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 mt -66.71 -42.83 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.94 88.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mt -65.84 -42.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 59.3 t90 -60.72 -45.06 95.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.12 -46.25 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.24 -39.39 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.58 -48.46 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -66.14 -29.09 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 t -53.4 -45.65 69.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.19 -38.18 90.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.782 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 16' ' ' LEU . 71.9 mt-30 -66.8 -51.23 58.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.8 mt -62.25 -33.02 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.275 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.52 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.521 ' HD3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.07 -49.17 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.657 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.1 mt -61.16 -41.5 96.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -62.98 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -41.62 94.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.539 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -41.74 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.65 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -64.25 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -32.41 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -83.05 -34.47 26.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.506 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -162.58 116.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 23.4 ptt-85 -73.21 3.42 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.851 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -97.48 170.75 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.28 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 49' ' ' PHE . 1.2 mt -148.91 122.03 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.377 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -93.56 165.71 12.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.0 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.18 -50.87 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 0.0 110.076 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -59.64 -35.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.29 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HB3' HD22 ' A' ' 26' ' ' LEU . 16.1 mtt180 -70.09 -43.27 71.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.78 -50.22 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.47 83.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.203 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.93 -44.02 81.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.03 -42.52 97.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -60.86 -51.41 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.891 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -68.93 -38.58 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.725 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.6 -47.72 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.362 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 15' ' ' ARG . 32.2 mt -85.32 -64.38 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.34 43.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.74 174.25 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -82.84 145.51 29.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.76 74.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.918 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.27 -40.96 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.71 -45.14 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.1 88.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.44 -41.4 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.438 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.0 t90 -60.73 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 0.0 110.573 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.7 m-85 -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -61.97 -43.09 99.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.577 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.73 -36.9 79.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -69.77 -39.18 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.329 179.507 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.719 0.295 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 30.3 t -53.42 -43.24 67.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.974 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -40.89 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.748 ' HA ' HD21 ' A' ' 38' ' ' LEU . 95.3 mt-30 -66.74 -53.13 36.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.502 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' NE1' ' A' ' 48' ' ' TRP . 6.3 mt -62.88 -32.56 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.24 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -62.26 -47.29 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.587 ' HB3' HD11 ' A' ' 38' ' ' LEU . 32.8 ttm180 -63.06 -50.88 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.307 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.3 mt -60.93 -34.15 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.345 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -46.49 88.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmt-85 -62.44 -42.71 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.57 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.17 -46.36 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 25.9 t80 -62.64 -37.94 88.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -32.52 73.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.724 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.12 -32.96 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.81 111.3 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 10.2 mtt85 -74.01 5.08 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.789 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.81 129.52 51.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.189 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 HG22 ' A' ' 45' ' ' ILE . 8.2 mt -93.77 179.11 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.414 0.626 . . . . 0.0 111.698 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -147.6 166.52 27.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.529 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -50.44 71.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.031 0.443 . . . . 0.0 110.31 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -41.6 93.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.485 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' HD22 ' A' ' 26' ' ' LEU . 27.1 mtt85 -67.93 -42.79 80.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -47.26 82.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -67.5 -38.96 85.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.82 -49.21 66.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 9.0 mp -65.85 -38.33 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 p -60.72 -47.69 85.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -70.41 -54.1 13.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.58 -42.63 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -85.25 -39.47 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.681 0.277 . . . . 0.0 111.297 -179.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.38 46.47 1.99 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.65 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -132.29 160.45 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -77.42 141.2 39.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.692 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.7 mt-10 -51.03 -42.42 60.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.82 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -44.44 71.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.59 HG22 HD11 ' A' ' 26' ' ' LEU . 4.9 mt -65.35 -43.3 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 110.383 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -45.97 88.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.065 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.479 HG22 ' OD1' ' A' ' 51' ' ' ASN . 77.1 mt -66.74 -39.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.767 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.582 ' NE1' HD22 ' A' ' 13' ' ' LEU . 86.7 t90 -62.57 -45.19 94.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.3 m-85 -63.95 -48.73 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.61 -40.87 96.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.647 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' OD1' HG22 ' A' ' 47' ' ' ILE . 7.4 m120 -67.78 -36.77 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -66.13 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.679 0.276 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -53.46 -42.34 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.32 -40.73 85.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.81 -45.8 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.642 HD22 ' NE1' ' A' ' 48' ' ' TRP . 4.9 mt -66.44 -35.48 80.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.243 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.19 95.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.384 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -49.58 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.6 mt -61.34 -36.04 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.414 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -61.98 -46.11 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -61.39 -45.18 95.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.41 -40.53 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 21.5 t80 -62.33 -37.68 86.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.693 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.52 -27.61 69.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.97 -35.84 25.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.74 123.47 5.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.746 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -73.22 -3.99 30.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.686 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.2 m-85 -108.32 179.95 4.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.518 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 mt -145.77 126.4 14.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 111.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -93.52 164.6 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.924 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.51 -47.92 72.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 0.0 109.985 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -60.14 -40.62 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.469 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.31 -44.58 75.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -63.83 -47.54 80.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -39.26 85.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.95 -49.15 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -39.57 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.638 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.4 p -60.66 -47.11 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -68.95 -39.81 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.451 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.32 62.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.724 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.0 mt -85.22 -11.12 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.62 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 32.0 63.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -110.02 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -82.83 135.72 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.31 -42.04 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -41.95 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 35' ' ' SER . 22.3 mt -65.74 -42.45 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.237 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -58.82 -45.96 88.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.476 HG22 ' OD1' ' A' ' 51' ' ' ASN . 54.9 mt -64.23 -39.94 87.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.642 ' NE1' HD22 ' A' ' 13' ' ' LEU . 91.1 t90 -61.69 -47.18 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.726 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.86 -42.0 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.71 99.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.476 ' OD1' HG22 ' A' ' 47' ' ' ILE . 27.8 m120 -67.0 -40.99 87.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.758 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -67.59 -39.67 84.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.402 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.525 0.018 0 CA-C-O 120.87 0.367 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -53.44 -46.72 69.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.71 -40.25 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 16' ' ' LEU . 65.4 mt-30 -66.76 -42.89 85.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.8 mt -66.56 -37.27 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.54 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.77 89.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.326 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 45' ' ' ILE . 3.1 mt -63.3 -37.51 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.789 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 14.8 tttt -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -43.06 96.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.61 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 34' ' ' LEU . 1.2 mt-10 -65.93 -44.87 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 22.3 t80 -64.93 -32.83 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -83.11 -34.53 26.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.59 109.14 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -73.09 2.06 7.85 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.924 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 18.9 m-85 -109.48 124.51 51.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 26' ' ' LEU . 10.0 mt -94.07 -177.28 4.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.342 0.591 . . . . 0.0 111.505 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -150.47 169.19 22.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.585 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.21 -50.89 69.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.1 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.516 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 34' ' ' LEU . 5.3 mtp180 -68.17 -39.96 82.41 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -64.07 -54.54 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -35.22 79.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.91 -52.88 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -61.5 -36.15 79.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.541 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.3 m -60.76 -49.52 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -70.82 -40.59 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.264 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.01 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.956 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.469 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 76.9 mt -85.25 -12.11 53.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.795 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.86 53.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.32 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.35 164.22 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.88 134.91 35.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 45' ' ' ILE . 50.8 mt-10 -50.56 -36.74 35.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.43 -44.9 70.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 16' ' ' LEU . 4.2 mt -64.49 -42.78 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -58.77 -45.99 88.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.434 HG22 HD22 ' A' ' 51' ' ' ASN . 39.2 mt -65.68 -37.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.5 t90 -61.2 -46.98 88.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.88 -43.8 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -43.23 98.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.434 HD22 HG22 ' A' ' 47' ' ' ILE . 4.7 m-80 -65.2 -42.11 93.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.38 -28.34 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HD3' ' CE1' ' A' ' 25' ' ' TYR . 3.4 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.682 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.4 p . . . . . 0 CA--C 1.523 -0.071 0 CA-C-O 120.751 0.31 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -38.92 64.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.631 ' HB3' HD13 ' A' ' 38' ' ' LEU . 72.8 mt-30 -66.78 -31.9 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.709 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 9' ' ' SER . 3.5 mm? -65.04 -42.71 94.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.168 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.79 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -47.08 86.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 9.7 mt -60.86 -44.43 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.393 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -61.31 -39.41 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -61.37 -45.93 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.31 -34.84 79.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.518 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 75.0 t80 -64.61 -40.02 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.399 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.78 -26.15 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.817 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -158.51 121.02 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -73.61 2.28 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -124.82 131.55 53.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 26' ' ' LEU . 8.9 mt -95.76 -179.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.225 0.536 . . . . 0.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -145.97 169.16 19.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.463 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -50.04 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.964 0.411 . . . . 0.0 110.244 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -58.85 -45.58 89.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -66.71 -41.72 87.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -52.56 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.69 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -51.99 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.663 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.96 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.517 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -60.75 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.68 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -38.32 77.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.47 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -58.62 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.882 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 12' ' ' GLN . 10.8 mt -85.28 -13.69 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.847 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.21 41.32 39.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.359 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.73 170.81 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' HB2' ' HG3' ' A' ' 44' ' ' GLN . 5.6 m120 -82.86 133.05 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.48 -39.33 47.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.19 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 14.4 mt-30 -69.71 -36.4 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 35' ' ' SER . 46.5 mt -67.85 -46.08 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.539 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mt -66.05 -37.15 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.8 t90 -60.57 -48.65 80.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.725 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.9 m-85 -63.99 -45.25 89.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.4 -41.43 98.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.741 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -71.25 -31.58 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -67.42 -32.41 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.807 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.724 ' O ' HD23 ' A' ' 13' ' ' LEU . 3.3 p . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.571 0.224 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -53.45 -38.11 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -49.3 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.76 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.762 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.45 -49.02 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.268 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.89 99.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -63.41 -50.2 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 12.4 mt -60.68 -45.23 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.03 -38.28 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -44.29 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.342 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -68.7 -34.66 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.3 -35.6 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.807 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.9 -31.77 72.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.08 -33.64 26.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.453 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.36 122.04 4.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.546 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -73.09 -3.86 28.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -110.51 -170.62 1.68 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.751 0.31 . . . . 0.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.1 mt -149.77 131.4 14.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 111.157 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.58 165.07 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -49.72 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.046 0.451 . . . . 0.0 110.194 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.87 -38.9 79.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.13 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.7 tpm_? -69.74 -48.83 57.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.281 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -44.59 96.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.609 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 16.0 pt20 -67.45 -40.26 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.76 -45.39 78.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.61 -39.62 94.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' ILE . 19.8 p -60.66 -48.43 81.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.94 -48.32 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.701 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -42.48 93.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 5.8 mt -85.23 -21.33 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.47 31.81 40.11 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.339 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 171.47 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -82.24 139.67 34.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 45' ' ' ILE . 20.6 mt-10 -51.77 -39.49 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -42.09 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -64.99 -44.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.431 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -45.6 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.58 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.997 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 61.8 t90 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.711 0.291 . . . . 0.0 110.628 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.01 -47.6 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.15 96.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.747 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -70.57 -35.21 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 5.1 tmtm? -66.16 -39.54 89.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.717 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.766 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 p . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.639 0.257 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.48 -40.84 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.474 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -45.57 92.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.57 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.0 mt-30 -66.85 -31.55 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -65.19 -50.1 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.612 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -46.45 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 12' ' ' GLN . 14.6 mt -64.87 -42.05 95.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.04 -35.66 80.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.679 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -50.98 59.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -41.43 97.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 51.0 t80 -61.93 -41.56 98.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.59 -26.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -83.04 -37.81 23.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -158.95 119.48 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 mtp180 -73.17 0.43 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.721 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -116.57 136.29 53.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.786 0.327 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.4 mt -99.9 179.53 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.31 0.576 . . . . 0.0 111.445 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.5 p -146.93 167.69 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.448 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -56.16 -48.07 77.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.03 0.443 . . . . 0.0 110.098 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -59.34 -46.53 88.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.335 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.677 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -66.93 -42.05 85.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.65 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -52.07 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.116 0.484 . . . . 0.0 110.734 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.296 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -66.94 -41.75 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.823 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -63.12 -43.24 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.74 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.981 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -70.55 -40.87 73.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.95 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.6 OUTLIER -69.02 -54.14 16.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.987 -178.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 34' ' ' LEU . 41.9 mt -85.17 -15.98 41.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.675 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.33 45.22 19.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.436 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD ' ' A' ' 12' ' ' GLN . 7.5 mt -124.65 170.71 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -82.81 140.4 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.0 mt-10 -51.73 -41.64 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.77 74.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -69.26 -44.84 71.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.2 mt -65.94 -41.44 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.31 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -45.93 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.87 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 40.1 mt -66.98 -40.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.473 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 54.8 t90 -60.61 -44.94 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.06 -48.31 76.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.29 -42.1 99.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -66.61 -37.21 84.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -36.56 83.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.647 179.696 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.71 0.29 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 t -53.4 -46.12 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.853 0.358 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -42.96 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.741 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' HD12 ' A' ' 16' ' ' LEU . 76.8 mt-30 -66.45 -52.27 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -61.59 -36.56 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.621 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.59 85.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -66.11 -44.91 82.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.513 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.0 mt -62.74 -39.47 94.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.709 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.0 -43.63 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.299 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -44.65 94.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.457 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.55 -37.97 88.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 63.2 t80 -63.01 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.744 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -28.62 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.456 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -83.01 -34.23 26.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -156.73 125.49 5.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -73.23 -9.26 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.55 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -112.15 -177.09 3.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.98 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.7 mt -140.25 -175.22 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 p -149.26 164.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.755 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.19 -49.5 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.932 0.396 . . . . 0.0 110.394 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.329 179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.6 ttm180 -67.82 -44.75 76.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.488 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' NE ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 ttp-105 -58.9 -50.85 72.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -40.51 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.518 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -66.9 -47.27 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.686 0.279 . . . . 0.0 110.869 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -60.33 -42.37 95.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.867 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 45' ' ' ILE . 85.5 p -61.04 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -69.79 -38.18 76.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 1.4 tt0 -63.83 -54.14 39.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.6 mt -85.23 -28.83 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.661 0.267 . . . . 0.0 111.438 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.78 42.2 3.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.66 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.9 mt -121.73 171.99 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.622 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.8 134.19 35.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.782 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HA ' HD12 ' A' ' 45' ' ' ILE . 1.7 mt-10 -53.15 -38.09 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.22 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -69.81 -41.9 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 42' ' ' GLU . 11.2 mt -66.96 -42.7 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.301 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' NE ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -58.79 -45.86 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.7 -39.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.657 ' HE1' HD21 ' A' ' 13' ' ' LEU . 81.7 t90 -60.68 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.92 -46.82 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.27 -39.1 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.67 -39.74 70.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 1.5 tmtt? -66.18 -35.79 81.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.904 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.914 0.388 . . . . 0.0 110.675 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.752 ' O ' HD23 ' A' ' 13' ' ' LEU . 9.7 p . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.674 0.273 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -53.32 -38.05 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.538 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.96 83.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.053 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HA ' HD22 ' A' ' 38' ' ' LEU . 34.9 mt-30 -67.86 -31.62 71.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.919 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 9' ' ' SER . 2.9 mm? -63.26 -48.83 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.399 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.03 99.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.586 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 15.4 mt -63.58 -47.42 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -39.51 89.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.53 94.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.393 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.29 -37.9 86.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -65.2 -38.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -66.63 -33.05 74.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.01 -35.61 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.042 0.449 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -156.77 118.57 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 -73.12 -1.51 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -109.08 -179.42 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 110.664 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 45' ' ' ILE . 3.8 mt -146.28 128.84 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -93.6 164.86 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.752 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.73 -46.19 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.089 0.471 . . . . 0.0 110.271 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 5.5 mpt_? -62.39 -39.55 93.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.362 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.7 mtm-85 -69.78 -39.74 76.45 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.7 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG3' HD13 ' A' ' 26' ' ' LEU . 5.6 mtm180 -62.78 -46.79 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.352 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.18 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -66.89 -50.07 63.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.2 mt -62.12 -35.11 77.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.443 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.525 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -61.01 -51.19 70.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.577 179.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -46.8 65.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.55 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.53 -41.98 96.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.104 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 12' ' ' GLN . 90.6 mt -85.26 -29.36 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.6 29.62 15.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.197 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD11 ' CD ' ' A' ' 12' ' ' GLN . 1.3 mt -123.24 172.16 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 45' ' ' ILE . 1.5 m120 -82.76 143.71 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.194 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.18 -39.77 57.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.61 -46.78 68.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.541 HG22 HD11 ' A' ' 26' ' ' LEU . 2.5 mp -64.51 -41.06 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.368 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -45.81 89.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 ' OD1' ' A' ' 51' ' ' ASN . 43.6 mt -64.06 -39.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 68.4 t90 -60.68 -43.53 97.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 1.4 m-85 -64.21 -48.51 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.08 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -35.98 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 47' ' ' ILE . 24.8 m120 -70.46 -47.02 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -66.49 -29.42 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 179.746 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -53.43 -40.1 64.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.993 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -42.3 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -66.81 -41.71 87.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -42.78 94.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.728 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.39 90.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.34 -42.65 87.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' CE3' ' A' ' 48' ' ' TRP . 7.4 mt -62.98 -43.23 99.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -41.63 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -61.06 -44.46 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.83 -38.59 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CD1' ' HD3' ' A' ' 52' ' ' LYS . 64.4 t80 -64.99 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -29.31 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -82.98 -35.3 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -161.15 110.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 27.5 mtm180 -73.1 -2.18 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.891 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -113.32 123.84 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.0 mt -90.2 -177.62 5.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.338 0.59 . . . . 0.0 111.612 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -151.0 171.09 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.575 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.15 -50.75 70.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.97 -45.71 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.514 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.583 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -37.18 84.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.823 0.344 . . . . 0.0 111.266 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' NE ' ' HB3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -62.19 -54.5 40.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.87 72.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.041 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -50.64 61.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.45 -42.95 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -48.59 57.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.689 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.52 -42.51 99.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.8 mt -85.21 -52.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.214 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 39.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.149 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.07 178.21 5.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -82.82 140.05 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HB3' ' NE ' ' A' ' 31' ' ' ARG . 46.7 mt-10 -52.55 -41.14 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.74 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.798 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.21 -38.51 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.81 -46.38 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -45.87 88.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.052 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.21 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.479 ' CE3' HD22 ' A' ' 16' ' ' LEU . 77.0 t90 -60.55 -49.21 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.769 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.1 m-85 -63.91 -45.54 88.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.22 -40.03 84.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.564 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.12 -46.09 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.733 0.302 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -53.45 -45.06 69.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -37.68 84.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.64 ' O ' HD12 ' A' ' 16' ' ' LEU . 90.6 mt-30 -66.75 -46.75 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.465 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.9 mt -65.29 -35.11 80.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -46.45 88.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.334 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.2 mt -62.72 -35.96 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -62.78 -45.55 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -61.83 -46.06 91.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.27 -37.87 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 59.9 t80 -64.62 -39.43 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -27.83 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -83.11 -33.64 26.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 116.95 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.265 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.19 -2.38 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.089 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.1 175.9 5.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.751 0.31 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 45' ' ' ILE . 4.8 mt -142.63 131.35 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 111.159 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -93.55 162.64 13.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.991 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.37 -47.27 72.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.171 0.51 . . . . 0.0 110.022 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -40.35 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.41 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -68.36 -42.87 78.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 -179.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.46 -51.62 69.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -40.45 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -66.9 -41.14 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.735 0.303 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 2.2 mt -65.84 -40.54 91.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 45' ' ' ILE . 1.4 t -60.72 -51.6 68.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.748 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -47.29 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -62.57 -45.36 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 12' ' ' GLN . 14.6 mt -85.23 -42.89 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.238 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.43 32.22 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.204 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.14 165.01 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 2.6 t-20 -78.01 137.97 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 45' ' ' ILE . 36.8 mt-10 -50.66 -39.37 50.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.181 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.76 81.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 35.5 mm-40 -69.4 -40.02 77.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -65.56 -44.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.393 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.77 -46.16 88.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.685 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.8 -39.74 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.72 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.465 ' NE1' HD22 ' A' ' 13' ' ' LEU . 87.7 t90 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.462 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -65.81 -48.55 71.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.806 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -63.31 -36.58 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -41.76 79.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.45 -43.7 84.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.932 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.504 ' O ' HD23 ' A' ' 13' ' ' LEU . 13.6 p . . . . . 0 CA--C 1.522 -0.104 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -40.91 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.445 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.01 -45.32 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.035 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.731 ' HG2' HD22 ' A' ' 38' ' ' LEU . 84.0 mt-30 -66.73 -34.83 78.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.106 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 9' ' ' SER . 1.7 mm? -62.86 -48.41 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.291 179.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.3 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.28 79.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.518 179.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 28.0 mt -63.09 -45.02 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.799 179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -47.56 84.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.08 -31.48 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 81.4 t80 -63.02 -44.05 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.47 -27.1 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -82.95 -35.5 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 121.76 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mtp180 -73.14 -5.28 38.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.634 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -109.58 -177.79 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 mt -146.78 129.28 15.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.419 HG23 HH11 ' A' ' 30' ' ' ARG . 6.7 p -93.51 166.81 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.054 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.42 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.093 0.473 . . . . 0.0 109.91 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.53 -39.34 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.369 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.668 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.49 -46.13 70.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.769 0.319 . . . . 0.0 111.122 -179.45 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -57.57 -48.63 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.379 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.47 -36.13 80.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.471 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -53.06 35.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -38.07 89.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.634 ' HA ' HD11 ' A' ' 45' ' ' ILE . 87.8 p -60.71 -49.8 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.54 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -69.59 -42.44 74.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.379 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.53 -52.5 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.785 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HG2' ' A' ' 12' ' ' GLN . 58.4 mt -85.19 -12.73 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.747 -179.373 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.91 27.91 61.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -108.63 166.53 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -82.9 141.81 31.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -52.65 -39.0 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.91 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -44.43 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.368 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 35' ' ' SER . 25.4 mt -64.99 -41.89 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.28 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -58.89 -45.74 89.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.709 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.87 -39.84 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.747 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.1 t90 -60.66 -46.27 90.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.468 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.3 m-85 -65.99 -41.91 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.08 98.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -35.88 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -70.93 -42.91 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.653 0.263 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -46.73 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.62 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.425 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.799 ' O ' HD12 ' A' ' 16' ' ' LEU . 88.8 mt-30 -66.65 -45.59 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -66.77 -38.68 87.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.723 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.71 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -66.02 -52.07 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -61.25 -39.92 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.799 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -62.92 -44.18 96.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -60.17 -42.73 95.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.705 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.26 -34.87 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.616 179.627 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -65.13 -38.89 92.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.45 -31.68 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.03 -34.38 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.19 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -156.77 116.27 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.546 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 mtt85 -73.18 -4.01 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.655 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.59 -178.19 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.5 mt -145.09 176.99 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 p -146.51 165.02 30.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.656 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.07 -51.08 69.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -60.18 -36.4 77.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.133 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.4 ttm180 -70.57 -48.23 56.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -59.2 -47.03 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.605 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -67.48 -35.3 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.91 -51.89 49.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.705 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.4 mp -64.76 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.025 0.441 . . . . 0.0 110.273 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 -49.31 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -70.35 -46.45 64.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.643 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.56 -46.16 89.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.059 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.27 -50.15 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.329 . . . . 0.0 111.297 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.06 45.76 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.73 164.93 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.798 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -80.49 139.72 36.26 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.897 ' HA ' HD12 ' A' ' 45' ' ' ILE . 27.0 mt-10 -50.64 -36.86 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.108 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.02 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 47' ' ' ILE . 4.8 mm-40 -69.36 -40.51 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.365 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 42' ' ' GLU . 6.6 mt -64.54 -43.5 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.091 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.86 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.762 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 44' ' ' GLN . 17.5 mt -62.19 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.737 ' HE1' HD21 ' A' ' 13' ' ' LEU . 89.3 t90 -60.64 -48.13 83.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -43.87 94.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.35 -42.06 98.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.76 -36.23 78.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 2.6 tttm -67.8 -29.75 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 179.936 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -53.39 -45.08 69.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.62 -38.52 87.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 16' ' ' LEU . 56.3 mt-30 -66.8 -46.15 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mt -65.07 -35.59 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.4 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -66.58 -44.9 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.9 mt -61.68 -38.89 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.534 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -63.03 -46.01 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.0 94.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.94 -37.67 79.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 41.7 t80 -63.57 -36.79 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.775 179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.64 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.96 -34.05 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.15 118.93 3.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -73.09 -5.31 38.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.62 -176.17 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.603 0.239 . . . . 0.0 110.463 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.7 mt -148.71 129.93 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 111.48 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -93.59 166.83 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.981 178.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.11 -51.25 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.234 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -60.54 -36.71 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -46.14 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.02 0.438 . . . . 0.0 110.892 -179.761 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' CD ' ' HG3' ' A' ' 46' ' ' LYS . 21.9 ttp180 -61.46 -54.55 41.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.88 -40.11 87.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.85 -47.79 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD23 ' A' ' 16' ' ' LEU . 3.2 mp -62.17 -35.39 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.161 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.679 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.0 p -60.67 -51.45 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.399 179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -36.83 76.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.443 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.09 -49.19 65.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.06 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 12' ' ' GLN . 53.9 mt -85.19 -28.48 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.517 -179.078 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.28 33.92 6.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 38' ' ' LEU . 1.1 mt -124.53 174.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.65 32.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.959 0.409 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.764 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.2 mp0 -51.27 -41.75 60.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.66 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -68.88 -42.05 77.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.4 mt -66.12 -41.04 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.182 179.166 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -45.59 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.326 179.286 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 17.6 mt -63.18 -41.1 91.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.51 ' NE1' HD22 ' A' ' 13' ' ' LEU . 89.1 t90 -60.16 -47.62 85.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.2 m-85 -63.96 -45.92 86.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.36 97.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.582 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -70.23 -36.52 74.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.767 179.855 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -41.2 90.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.875 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.47 179.621 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.744 0.307 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -46.64 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.45 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.607 ' O ' HD12 ' A' ' 16' ' ' LEU . 93.5 mt-30 -66.88 -45.6 77.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 13' ' ' LEU . 4.5 mt -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.39 90.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -46.51 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.4 mt -63.03 -39.23 94.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -46.67 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -38.15 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -39.98 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.659 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 28.5 t80 -62.31 -38.75 90.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -28.42 69.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.92 -38.36 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -157.25 103.78 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -73.16 -0.6 14.65 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.758 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 115.18 29.67 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.639 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 7.4 mt -90.36 174.08 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.295 0.569 . . . . 0.0 111.462 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 30' ' ' ARG . 20.8 p -146.43 170.74 16.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.448 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.1 -51.1 69.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -60.43 -42.89 96.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.437 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HB2' ' H ' ' A' ' 27' ' ' THR . 2.1 mtp85 -66.73 -39.68 88.05 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.085 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -63.43 -51.78 64.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 0.0 110.588 179.885 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -35.73 82.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.98 -49.29 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.674 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 HD23 HD23 ' A' ' 16' ' ' LEU . 1.9 mp -60.04 -41.01 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -48.81 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -37.28 77.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.724 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -54.38 40.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.988 -179.099 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.3 -46.6 10.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.59 42.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.37 173.37 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.66 136.67 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -52.05 -39.73 60.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.9 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -43.32 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.5 mt -66.71 -41.21 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.407 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.5 tmtm? -58.73 -46.1 88.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.87 -37.79 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 82.6 t90 -60.63 -51.74 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.2 m-85 -63.92 -41.71 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -68.42 -41.37 80.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -68.23 -40.61 82.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.51 179.717 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.735 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.679 0.276 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.35 -41.18 65.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.13 -44.89 78.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.64 -43.21 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.536 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.6 mt -66.84 -35.6 80.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.6 85.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -64.19 -47.63 79.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.666 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.9 mt -61.87 -41.85 98.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.95 -40.94 99.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.522 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.72 88.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.327 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.28 -32.2 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 24' ' ' ARG . 76.6 t80 -65.23 -38.66 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.007 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -62.54 -31.35 72.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.0 -33.12 26.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.34 109.49 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.626 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 7.6 ptp180 -73.21 0.19 12.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.837 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 1.7 m-85 -101.07 -173.75 2.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 45' ' ' ILE . 5.2 mt -149.69 -179.97 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.215 0.531 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 p -152.07 165.48 34.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.17 -51.15 69.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.394 . . . . 0.0 110.476 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.54 91.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.255 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -67.0 -43.31 83.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.617 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -60.6 -47.0 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -38.54 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -50.58 56.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 38' ' ' LEU . 18.6 mt -65.41 -37.27 86.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 45' ' ' ILE . 60.5 p -60.68 -50.96 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.758 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.8 m -69.64 -46.06 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.635 -179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.26 -46.36 84.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.125 -178.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 34' ' ' LEU . 71.6 mt -85.21 -22.7 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.0 34.78 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.837 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.9 mt -124.7 164.61 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.618 0.246 . . . . 0.0 110.562 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.486 HD22 ' HB3' ' A' ' 43' ' ' ALA . 5.8 p-10 -82.9 146.61 28.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.165 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -50.48 -38.53 44.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.325 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -64.66 -35.97 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -44.74 70.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.665 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 35' ' ' SER . 4.6 mt -64.75 -42.36 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.44 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -46.0 88.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.67 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.4 t90 -60.66 -46.44 90.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.46 -43.4 90.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -41.36 98.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.89 -40.97 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 1.1 tptp -66.74 -32.34 73.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.782 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.864 0.364 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -101.63 30.77 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.26 -21.46 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -55.28 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 111.243 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -102.0 95.73 5.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.206 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.64 123.98 10.31 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.452 2.101 . . . . 0.0 112.151 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -175.39 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.35 51.12 2.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.943 0.402 . . . . 0.0 110.829 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.12 90.22 7.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -120.39 174.5 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.949 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 p -107.73 159.05 16.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -53.42 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.26 -41.09 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.539 ' CD ' HD11 ' A' ' 40' ' ' LEU . 81.0 mt-30 -66.78 -46.69 74.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.66 -36.5 84.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.354 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.22 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.93 -48.58 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' GLN . 6.0 mt -59.81 -41.05 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.618 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -39.11 93.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.176 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -61.13 -45.63 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.302 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -65.32 -39.23 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.477 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 67.3 t80 -64.94 -35.43 81.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -83.03 -34.25 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.513 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -160.73 127.29 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -73.12 -1.22 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.959 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.42 -175.8 2.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.79 0.329 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.4 mt -149.16 134.37 18.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -93.62 161.92 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.008 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -49.77 68.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.469 . . . . 0.0 110.296 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.29 -40.48 86.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.458 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -67.33 -42.5 83.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -51.98 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.44 . . . . 0.0 110.751 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.47 -36.28 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.519 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 5.4 mm-40 -66.87 -46.01 76.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.05 -43.72 97.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -47.71 85.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.999 0.428 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.9 t -70.39 -36.75 74.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.72 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.66 -56.06 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.9 mt -85.24 -33.52 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.382 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.23 45.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.402 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' CD ' ' A' ' 12' ' ' GLN . 6.2 mt -123.43 168.28 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' CB ' ' HG3' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -80.49 132.78 35.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 45' ' ' ILE . 37.9 mt-10 -52.08 -35.56 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -37.08 86.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.0 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HG3' ' CB ' ' A' ' 41' ' ' ASN . 1.2 mt-30 -69.68 -41.83 74.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.1 mt -64.94 -44.96 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -58.74 -46.01 88.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.59 -37.09 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.652 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 91.0 t90 -60.65 -43.47 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.631 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 1.4 m-85 -68.85 -42.47 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.12 -39.18 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -37.98 71.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.0 tptt -66.72 -34.94 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.727 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -32.88 72.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -17.32 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.724 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.09 -31.44 62.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.718 0.294 . . . . 0.0 111.197 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.79 -58.94 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.21 105.2 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.835 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -94.6 -69.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.909 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.844 0.354 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.55 -71.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -123.94 -35.14 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.32 168.54 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -165.36 88.32 0.97 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' HG2' HD13 ' A' ' 47' ' ' ILE . 92.6 Cg_endo -80.43 147.44 17.92 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.625 2.217 . . . . 0.0 112.531 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -165.69 123.76 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -138.07 162.39 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.77 113.53 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.8 m-85 -80.6 -174.44 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.519 ' O ' HD23 ' A' ' 13' ' ' LEU . 16.2 p -115.84 150.73 36.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.694 0.283 . . . . 0.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.41 -37.89 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.05 -46.74 87.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.108 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.7 mt-30 -68.47 -31.78 71.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.04 0.447 . . . . 0.0 109.911 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' SER . 2.2 mm? -64.64 -49.08 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.799 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.29 78.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 1.4 mtt-85 -63.67 -43.77 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.3 mt -63.87 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.448 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -60.92 -37.16 81.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -47.11 84.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.02 -37.67 86.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 52.7 t80 -65.22 -38.91 91.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -29.03 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -83.02 -35.16 26.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -159.03 116.74 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.676 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 29.9 mtt180 -73.16 -5.87 42.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.784 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -103.59 177.14 4.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.7 mt -141.43 -177.09 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.279 0.561 . . . . 0.0 111.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.4 p -154.82 165.9 35.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.755 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -51.31 68.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -61.02 -37.52 82.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.174 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB3' HD22 ' A' ' 26' ' ' LEU . 5.3 mmt-85 -68.61 -44.99 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.3 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NE ' ' HG3' ' A' ' 46' ' ' LYS . 7.4 ttm105 -61.83 -47.35 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -66.95 -41.24 87.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 38' ' ' LEU . 5.2 mt -66.05 -43.76 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -60.71 -45.8 92.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.91 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.539 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.21 -48.86 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 34' ' ' LEU . 18.2 mt -85.17 -26.63 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 111.47 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.51 34.56 8.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.062 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.52 172.07 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.039 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.83 140.79 32.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.3 mt-10 -52.1 -39.35 59.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -69.67 -41.26 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mt -67.44 -42.47 87.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.351 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -58.72 -45.99 88.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 179.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' A' ' 4' ' ' PRO . 41.2 mt -67.85 -38.46 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 78.9 t90 -61.59 -44.3 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.95 -50.3 69.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.76 98.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.6 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -67.5 -45.32 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -29.34 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.77 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.64 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -75.26 -57.94 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 52' ' ' LYS . 2.6 mp -69.76 -56.76 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 75.83 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 105.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -152.37 44.3 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -116.12 -38.42 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.97 -52.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -113.07 88.84 12.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.14 -26.03 14.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.53 2.154 . . . . 0.0 112.361 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.713 ' HG3' HG22 ' A' ' 6' ' ' THR . 5.9 tpm_? -55.67 -73.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.713 HG22 ' HG3' ' A' ' 5' ' ' ARG . 4.9 t 176.48 150.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.818 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.63 133.34 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.983 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.403 ' HB2' HD21 ' A' ' 13' ' ' LEU . 38.2 m-85 -81.31 -176.41 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 13' ' ' LEU . 10.3 p -115.0 153.66 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.4 t -53.42 -38.13 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.739 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.38 -48.76 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.184 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 38' ' ' LEU . 33.9 mt-30 -66.79 -31.64 72.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.929 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -63.14 -50.02 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.288 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.784 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.93 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 14.1 mt -64.18 -42.17 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.596 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -62.98 -40.94 99.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -45.51 93.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -68.47 -38.17 80.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' HE2' HD13 ' A' ' 56' ' ' ILE . 57.1 t80 -63.27 -37.81 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.53 -28.44 69.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.97 -37.79 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -156.8 124.17 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 6.7 mtm105 -73.16 -3.5 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.079 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -109.02 -172.91 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 31' ' ' ARG . 5.8 mt -146.8 176.93 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 0.0 111.177 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -147.36 162.8 38.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.64 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -48.25 76.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.058 0.456 . . . . 0.0 110.387 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.098 179.465 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -69.77 -50.29 44.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' HD13 ' A' ' 26' ' ' LEU . 2.7 ttm180 -57.46 -42.38 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.737 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' A' ' 33' ' ' GLN . 6.6 pt20 -67.46 -39.22 85.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.982 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 4.3 mm100 -67.04 -51.98 48.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.8 mt -61.58 -37.34 83.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -50.39 73.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -42.79 74.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.768 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.93 -49.14 69.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 12' ' ' GLN . 46.5 mt -85.14 -17.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.41 29.05 41.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.644 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD11 ' CD ' ' A' ' 12' ' ' GLN . 2.3 mt -114.02 165.04 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.696 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.486 ' HB3' ' HG3' ' A' ' 44' ' ' GLN . 14.4 t-20 -82.07 141.7 32.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 111.099 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.02 -33.59 52.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.903 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 41' ' ' ASN . 2.8 mt-30 -68.85 -42.63 76.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.532 HG22 HD11 ' A' ' 26' ' ' LEU . 21.2 mt -64.54 -43.54 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.91 88.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.44 -37.38 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 70.5 t90 -61.89 -50.34 72.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -63.87 -41.91 97.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.593 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -43.05 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -34.44 70.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 56' ' ' ILE . 19.3 tptt -66.29 -40.16 89.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HA ' HG22 ' A' ' 56' ' ' ILE . 3.1 mtm105 -63.76 -37.15 86.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.72 -31.13 68.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.597 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -81.3 -31.45 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.331 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.557 HD13 ' HE2' ' A' ' 20' ' ' PHE . 4.3 tt -87.92 -16.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.41 176.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -94.61 73.02 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.949 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -85.07 -71.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.95 117.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -133.91 8.81 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.413 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.38 83.84 10.59 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.702 0.287 . . . . 0.0 110.792 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.98 -53.84 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.523 2.149 . . . . 0.0 112.386 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -151.13 143.2 24.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.577 HG21 ' CD ' ' A' ' 44' ' ' GLN . 10.1 t -122.87 164.38 18.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 101.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -84.19 170.62 13.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -121.59 154.11 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.38 -39.98 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.26 -40.46 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.671 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 40' ' ' LEU . 91.4 mt-30 -66.82 -48.27 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.5 mt -63.66 -34.09 77.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.541 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.49 73.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.52 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 34' ' ' LEU . 4.7 mt -60.39 -40.6 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.663 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.88 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.487 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' OE1' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.06 -41.65 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 53.1 t80 -63.1 -37.61 87.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.25 -29.95 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.08 -35.21 25.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.56 116.79 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -73.32 1.72 8.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.842 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -121.73 129.54 52.78 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.797 0.332 . . . . 0.0 110.359 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.7 mt -92.97 -177.76 4.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.392 0.615 . . . . 0.0 111.631 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -149.03 167.47 25.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.434 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.69 -50.86 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.036 0.446 . . . . 0.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -39.62 87.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.379 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.774 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.23 -42.89 75.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.34 -179.307 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -60.63 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.79 75.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.222 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -66.95 -50.81 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 HD23 ' A' ' 16' ' ' LEU . 8.6 mp -65.71 -36.9 84.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -60.76 -49.72 76.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -68.9 -41.68 77.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.588 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -56.18 18.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.016 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 12' ' ' GLN . 79.9 mt -85.27 -9.93 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.718 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 38.04 70.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' CD ' ' A' ' 12' ' ' GLN . 4.8 mt -111.84 168.83 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 132.65 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.781 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 12.3 mt-10 -50.92 -38.5 50.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.351 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.577 ' CD ' HG21 ' A' ' 6' ' ' THR . 69.0 mt-30 -69.74 -39.05 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.665 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 35' ' ' SER . 33.5 mt -65.76 -46.18 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.498 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.74 -45.79 88.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.604 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 51' ' ' ASN . 33.2 mt -63.34 -37.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.504 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.8 t90 -64.18 -43.02 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.6 m-85 -67.82 -45.02 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.747 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -63.3 -38.46 91.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 47' ' ' ILE . 12.7 m120 -71.77 -36.81 70.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 7.6 mptt -66.84 -31.83 72.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.51 -29.48 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.65 -27.08 68.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.215 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -75.04 -32.08 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.0 mm -60.34 -44.79 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 118.38 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt 64.01 99.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.925 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.935 0.398 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -165.43 -47.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.626 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.91 29.52 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -69.08 138.56 54.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -107.33 90.23 5.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.46 157.06 53.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.563 2.175 . . . . 0.0 112.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ttp-105 -121.88 -50.16 2.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 85.26 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.16 102.92 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -134.42 179.03 6.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p -110.23 160.13 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.734 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 m -53.37 -46.14 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.85 -40.67 91.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.516 ' HB3' HD11 ' A' ' 40' ' ' LEU . 83.2 mt-30 -66.09 -45.52 80.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.607 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 13' ' ' LEU . 3.2 mt -66.54 -36.73 83.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.347 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.76 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.461 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.32 -51.36 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.549 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 34' ' ' LEU . 6.7 mt -59.94 -38.07 81.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.668 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -63.02 -43.67 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.8 93.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -40.41 93.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.528 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CZ ' ' HD3' ' A' ' 24' ' ' ARG . 74.0 t80 -65.26 -34.99 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.789 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -64.37 -29.93 70.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -83.07 -38.61 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -159.79 120.85 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 8.9 mtt85 -73.07 -2.48 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.94 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.36 130.44 55.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.312 . . . . 0.0 110.533 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.9 mt -99.32 -177.83 3.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.322 0.582 . . . . 0.0 111.482 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -148.22 167.22 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.325 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.66 -51.06 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.943 0.401 . . . . 0.0 110.195 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -37.3 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.976 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.752 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -67.36 -49.84 62.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.212 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -58.74 -51.87 68.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.608 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.76 -35.75 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.92 31.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.489 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.2 p -61.11 -51.14 70.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.732 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -69.85 -39.15 76.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -62.62 -57.32 11.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.823 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 15' ' ' ARG . 36.0 mt -85.34 -12.6 51.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.552 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.46 30.67 44.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 12' ' ' GLN . 8.1 mt -103.87 169.6 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -82.89 131.46 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.1 mp0 -50.51 -41.12 53.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.24 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 86.8 mm-40 -69.72 -35.14 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 42' ' ' GLU . 7.6 mt -68.27 -46.99 80.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.358 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -45.81 89.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.824 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.35 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 92.9 t90 -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.4 m-85 -64.02 -47.68 79.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.15 -39.8 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.89 -38.32 79.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.725 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 4.2 tptt -67.26 -36.14 80.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -64.54 -35.09 79.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.156 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.15 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.61 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -79.66 5.26 13.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.821 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 52' ' ' LYS . 35.3 mm -85.38 -71.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.26 93.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -59.16 148.57 31.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.888 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.809 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -80.14 144.6 32.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -131.99 145.87 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -76.57 141.75 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.08 154.29 70.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.97 135.32 58.27 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.191 . . . . 0.0 112.231 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.648 ' HG3' HG22 ' A' ' 6' ' ' THR . 17.9 ptt-85 -155.45 -44.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HG3' ' A' ' 5' ' ' ARG . 1.7 t -173.06 144.56 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.84 127.59 43.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 40' ' ' LEU . 7.5 m-85 -108.58 172.51 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -115.42 158.67 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -43.66 68.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.61 -40.5 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.74 -43.51 83.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.329 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD22 ' HE1' ' A' ' 48' ' ' TRP . 2.6 mt -66.81 -34.69 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.68 88.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.615 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.22 -49.78 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 5.5 mt -61.92 -37.03 83.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -62.73 -45.08 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -44.43 96.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -38.32 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.609 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 71.0 t80 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.48 -28.71 70.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.663 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -83.08 -32.7 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -156.78 125.69 5.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.431 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -73.15 -13.62 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.746 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -108.2 -172.05 1.98 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.8 mt -146.9 135.89 22.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -93.6 166.49 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.669 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -50.78 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.163 0.506 . . . . 0.0 110.078 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -59.75 -40.26 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.445 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -66.82 -40.71 88.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.827 0.346 . . . . 0.0 110.926 -179.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -54.87 41.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.41 -31.99 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 1.5 mm-40 -67.13 -53.26 32.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.8 mt -64.21 -34.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 45' ' ' ILE . 20.2 p -60.7 -51.58 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.569 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -42.98 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.744 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -62.61 -45.57 92.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.667 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.25 -56.72 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.8 44.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 8' ' ' PHE . 2.0 mp -133.43 173.02 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 110.753 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.82 144.11 30.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' HA ' HD12 ' A' ' 45' ' ' ILE . 52.2 mt-10 -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.75 74.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.036 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.5 -43.18 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.637 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.6 mt -67.48 -40.9 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.979 0.419 . . . . 0.0 110.323 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -58.76 -45.75 89.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.396 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 16.6 mt -65.31 -39.37 85.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.3 t90 -60.68 -46.7 89.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.7 m-85 -63.83 -47.13 82.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.33 -39.35 94.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.917 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 2.5 t-20 -67.64 -34.32 76.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.15 -43.32 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.661 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' HA ' HD12 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -68.96 -30.46 68.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.644 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.532 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -6.29 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.545 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 53' ' ' ARG . 33.2 mt -94.72 -68.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 84.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -128.66 145.77 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.824 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.75 0.31 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -114.74 -37.77 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.53 120.24 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.242 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -36.43 10.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.614 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.9 137.9 20.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.44 -176.11 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.397 2.065 . . . . 0.0 112.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -157.52 148.72 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.431 ' HB ' ' CE2' ' A' ' 8' ' ' PHE . 2.4 p -121.47 -77.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.7 83.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CE2' ' HB ' ' A' ' 6' ' ' THR . 6.6 m-85 -127.17 -165.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.573 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.6 p -120.91 154.62 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.41 -36.6 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.395 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.23 -48.62 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' HD13 ' A' ' 38' ' ' LEU . 71.3 mt-30 -66.92 -32.0 72.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.778 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.7 -45.39 90.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.174 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.72 81.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.642 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -46.98 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.254 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 5.3 mt -60.05 -44.6 94.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 1.4 mtmm -62.91 -34.25 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.495 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -63.67 -49.15 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -36.25 83.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HZ ' HD13 ' A' ' 56' ' ' ILE . 41.9 t80 -65.27 -35.77 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.819 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -29.12 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -83.0 -36.0 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -162.21 128.62 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -6.7 47.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.479 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -100.67 179.1 4.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.6 mt -142.32 -175.19 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.153 0.501 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -154.79 166.84 32.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.692 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.09 -51.07 69.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 3.6 mmp_? -60.56 -35.51 76.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.804 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -71.99 -47.3 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.994 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -43.06 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 2.2 pp0? -66.88 -35.27 79.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -67.07 -47.46 71.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.636 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -65.86 -42.79 89.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.03 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.453 ' CA ' HD11 ' A' ' 45' ' ' ILE . 12.0 p -60.65 -47.22 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -71.12 -50.75 30.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.671 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.44 -42.82 98.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.197 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD11 HD23 ' A' ' 34' ' ' LEU . 55.5 mt -85.32 -43.87 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.334 . . . . 0.0 111.308 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.82 41.34 2.0 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.272 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 mt -128.86 172.05 11.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -82.81 140.86 32.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.41 -39.9 61.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.95 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -39.87 78.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.394 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' CA ' ' A' ' 35' ' ' SER . 49.7 mt -66.62 -43.6 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.304 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.79 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 28.1 mt -62.49 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.773 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.467 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 83.5 t90 -60.62 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.07 -47.84 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.489 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.44 -42.34 98.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.007 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.08 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' HD12 ' A' ' 56' ' ' ILE . 9.7 tptt -66.15 -39.65 89.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.699 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.87 -30.23 71.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.708 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -23.07 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -74.09 -41.96 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.787 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.564 ' H ' HD12 ' A' ' 56' ' ' ILE . 4.3 mp -85.07 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.71 100.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 128.4 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 12.7 ttm . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.96 -71.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.72 157.62 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -149.36 -43.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.53 69.61 60.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.93 -168.68 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.538 2.159 . . . . 0.0 112.249 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -133.1 -69.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.1 61.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.89 87.41 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -116.28 177.67 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.705 ' O ' HD23 ' A' ' 13' ' ' LEU . 21.2 p -113.46 155.57 25.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -40.56 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.732 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.56 -47.46 86.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.141 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' HG2' HD22 ' A' ' 38' ' ' LEU . 54.7 mt-30 -66.83 -31.53 72.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 9' ' ' SER . 3.4 mm? -64.97 -47.42 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.708 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.95 81.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.0 mmt85 -65.18 -43.27 92.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 48' ' ' TRP . 18.9 mt -63.77 -45.98 87.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -62.05 -39.6 92.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -62.19 -45.33 93.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.79 -40.01 95.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 t80 -65.12 -39.04 92.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.54 -28.83 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -83.05 -39.11 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.22 110.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -73.14 -3.15 24.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.3 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -107.2 118.33 36.43 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 30' ' ' ARG . 9.3 mt -90.3 -177.94 5.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.372 0.606 . . . . 0.0 111.343 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -152.74 170.39 20.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.564 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.13 -51.16 68.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.139 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mtt85 -60.47 -41.07 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.278 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.804 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -67.41 -42.87 82.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.481 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -61.67 -49.66 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.339 . . . . 0.0 111.021 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -41.94 95.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -66.99 -43.97 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -64.36 -38.46 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.298 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.754 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.9 p -60.62 -51.11 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -69.52 -44.12 71.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.627 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.64 -41.87 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.799 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 15' ' ' ARG . 7.7 mt -85.22 -58.81 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.2 42.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.192 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.3 mt -139.38 174.71 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.629 0.252 . . . . 0.0 110.75 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.441 HD22 ' HB3' ' A' ' 43' ' ' ALA . 7.1 p-10 -82.87 142.32 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -51.52 -37.16 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -63.15 -37.52 87.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -42.77 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.4 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 35' ' ' SER . 8.7 mt -66.6 -41.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -58.82 -45.83 89.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.961 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.45 -39.18 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 16' ' ' LEU . 80.3 t90 -60.91 -50.69 72.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.2 m-85 -63.93 -43.42 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.562 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -41.48 98.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.738 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.74 -38.82 90.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 53' ' ' ARG . 20.4 mtm105 -67.34 -44.89 77.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.69 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.58 -14.93 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.325 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -41.55 61.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -81.64 -58.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -93.75 118.1 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 96.85 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.938 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.845 0.355 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -147.39 106.24 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 85.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB3' HG21 ' A' ' 6' ' ' THR . 16.0 mttp -67.58 -178.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.285 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 161.53 59.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.17 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.74 -16.56 53.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.569 2.179 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.22 92.17 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.776 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.434 HG21 ' HB3' ' A' ' 2' ' ' LYS . 11.2 t -144.64 175.37 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.957 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.97 128.19 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 9.5 m-85 -79.81 -158.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.718 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.759 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.7 p -102.93 153.86 19.79 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.526 0.203 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -53.46 -37.17 62.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.59 -49.02 75.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.526 ' O ' HD12 ' A' ' 16' ' ' LEU . 61.2 mt-30 -66.71 -31.37 71.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 9' ' ' SER . 2.8 mm? -62.45 -49.31 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.698 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.28 -47.59 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.5 mt -62.55 -42.62 99.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.56 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -40.97 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.677 179.642 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -46.26 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.576 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.35 -35.79 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 66.6 t80 -65.19 -38.88 91.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -62.49 -29.99 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.04 -39.94 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.87 119.66 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.15 -5.07 36.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.547 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -103.59 -175.99 2.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD11 HG22 ' A' ' 45' ' ' ILE . 8.0 mt -144.33 179.18 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.22 0.533 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -146.84 167.23 24.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.495 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -51.07 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 0.0 110.192 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.77 -40.43 92.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.455 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.1 tpt85 -68.58 -41.13 80.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -47.4 84.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.891 0.377 . . . . 0.0 110.775 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -39.97 86.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.9 -46.35 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.97 -42.68 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.457 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.8 p -60.7 -44.21 96.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -47.87 62.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.494 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.09 -49.26 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.901 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.17 -12.2 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.01 34.41 70.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.382 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.04 167.03 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.36 140.5 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 45' ' ' ILE . 71.2 mt-10 -50.71 -42.31 56.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.17 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -69.5 -42.06 75.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 mt -66.71 -42.83 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.94 88.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mt -65.84 -42.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 59.3 t90 -60.72 -45.06 95.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.12 -46.25 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.24 -39.39 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.58 -48.46 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -66.14 -29.09 69.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.19 -43.34 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.14 66.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -43.0 39.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.234 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -64.2 -36.38 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.805 0.336 . . . . 0.0 111.195 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 61.71 148.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -125.26 151.55 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.759 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.94 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.813 0.339 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.48 157.11 17.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -141.8 95.88 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -165.67 -173.48 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 123.3 87.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.789 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.56 -174.48 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.399 2.066 . . . . 0.0 112.251 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.12 -172.65 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.756 HG21 ' CD ' ' A' ' 44' ' ' GLN . 1.7 t -66.03 -14.16 61.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.437 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 6' ' ' THR . . . 72.98 145.95 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.692 0.282 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.67 151.54 42.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -102.48 159.73 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 t -53.4 -45.65 69.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.19 -38.18 90.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.782 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.599 ' O ' HD12 ' A' ' 16' ' ' LEU . 71.9 mt-30 -66.8 -51.23 58.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.8 mt -62.25 -33.02 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.275 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.52 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' HD3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.07 -49.17 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.657 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.1 mt -61.16 -41.5 96.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -62.98 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -41.62 94.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.539 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -41.74 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.65 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -64.25 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -32.41 73.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -83.05 -34.47 26.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.506 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -162.58 116.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.841 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 53' ' ' ARG . 23.4 ptt-85 -73.21 3.42 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.851 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -97.48 170.75 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.28 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 49' ' ' PHE . 1.2 mt -148.91 122.03 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.377 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -93.56 165.71 12.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.0 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.18 -50.87 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 0.0 110.076 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -59.64 -35.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.29 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HB3' HD22 ' A' ' 26' ' ' LEU . 16.1 mtt180 -70.09 -43.27 71.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.78 -50.22 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -37.47 83.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.203 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -66.93 -44.02 81.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -64.03 -42.52 97.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -60.86 -51.41 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.891 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -68.93 -38.58 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.725 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.6 -47.72 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.362 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 15' ' ' ARG . 32.2 mt -85.32 -64.38 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.34 43.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.74 174.25 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.738 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -82.84 145.51 29.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.76 74.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.918 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.756 ' CD ' HG21 ' A' ' 6' ' ' THR . 79.4 mt-30 -69.27 -40.96 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.509 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.71 -45.14 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.1 88.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.44 -41.4 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.438 ' NE1' HD22 ' A' ' 13' ' ' LEU . 84.0 t90 -60.73 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 0.0 110.573 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.7 m-85 -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -61.97 -43.09 99.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.577 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.73 -36.9 79.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.379 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.77 -39.18 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.329 179.507 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -64.6 -43.37 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -11.28 60.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.726 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -26.47 60.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.698 0.285 . . . . 0.0 110.984 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 52' ' ' LYS . 4.4 mp -104.09 -45.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.04 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 125.82 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.57 168.15 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.947 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.808 0.337 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -59.97 131.78 51.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -93.55 46.13 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 3' ' ' ARG . 1.0 OUTLIER 59.18 177.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.435 ' HG2' ' HE2' ' A' ' 2' ' ' LYS . 11.5 mtt-85 61.79 74.33 0.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.12 -24.76 26.78 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.643 2.228 . . . . 0.0 112.083 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 6' ' ' THR . 2.0 ttt180 -157.57 141.75 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.544 HG21 ' OE1' ' A' ' 44' ' ' GLN . 13.8 t 45.52 -167.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.472 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.01 98.84 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.023 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -69.99 159.51 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -110.55 160.89 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 30.3 t -53.42 -43.24 67.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.974 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -40.89 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.748 ' HA ' HD21 ' A' ' 38' ' ' LEU . 95.3 mt-30 -66.74 -53.13 36.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.502 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' NE1' ' A' ' 48' ' ' TRP . 6.3 mt -62.88 -32.56 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.24 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -62.26 -47.29 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' HB3' HD11 ' A' ' 38' ' ' LEU . 32.8 ttm180 -63.06 -50.88 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.307 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 3.3 mt -60.93 -34.15 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.345 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -46.49 88.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmt-85 -62.44 -42.71 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.57 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.17 -46.36 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 25.9 t80 -62.64 -37.94 88.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -32.52 73.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.724 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.12 -32.96 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.81 111.3 2.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HE ' HD13 ' A' ' 56' ' ' ILE . 10.2 mtt85 -74.01 5.08 4.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.789 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.81 129.52 51.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 0.0 110.189 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.59 HD11 HG22 ' A' ' 45' ' ' ILE . 8.2 mt -93.77 179.11 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.414 0.626 . . . . 0.0 111.698 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -147.6 166.52 27.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.529 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -50.44 71.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.031 0.443 . . . . 0.0 110.31 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -41.6 93.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.485 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HB3' HD22 ' A' ' 26' ' ' LEU . 27.1 mtt85 -67.93 -42.79 80.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -47.26 82.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.406 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -67.5 -38.96 85.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.82 -49.21 66.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 9.0 mp -65.85 -38.33 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 p -60.72 -47.69 85.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -70.41 -54.1 13.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.58 -42.63 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -85.25 -39.47 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.681 0.277 . . . . 0.0 111.297 -179.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.38 46.47 1.99 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.65 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -132.29 160.45 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -77.42 141.2 39.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.692 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.7 mt-10 -51.03 -42.42 60.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.82 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' OE1' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -69.39 -44.44 71.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.735 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.59 HG22 HD11 ' A' ' 26' ' ' LEU . 4.9 mt -65.35 -43.3 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 110.383 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -45.97 88.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.065 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.479 HG22 ' OD1' ' A' ' 51' ' ' ASN . 77.1 mt -66.74 -39.22 83.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.767 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.582 ' NE1' HD22 ' A' ' 13' ' ' LEU . 86.7 t90 -62.57 -45.19 94.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.3 m-85 -63.95 -48.73 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.61 -40.87 96.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.647 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' OD1' HG22 ' A' ' 47' ' ' ILE . 7.4 m120 -67.78 -36.77 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -66.13 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 35.7 ttt-85 -64.85 -35.73 82.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.89 -25.97 63.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.401 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 6.6 mmpt? -79.74 -2.76 44.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.553 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.502 HD13 ' HE ' ' A' ' 24' ' ' ARG . 46.7 mt -76.43 -72.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.719 0.295 . . . . 0.0 111.39 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.68 -170.08 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -99.24 23.16 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.75 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.844 0.354 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -135.17 119.84 18.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.8 101.92 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -83.56 -41.86 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -172.31 55.27 0.21 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.83 -167.39 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.454 2.102 . . . . 0.0 112.212 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.46 -158.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.493 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 44' ' ' GLN . 2.2 t -104.92 -34.27 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 111.056 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.55 81.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.67 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.34 157.5 26.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.209 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -106.15 160.49 15.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.647 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -53.46 -42.34 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.897 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -67.32 -40.73 85.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.81 -45.8 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD22 ' NE1' ' A' ' 48' ' ' TRP . 4.9 mt -66.44 -35.48 80.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.243 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.19 95.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.384 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -49.58 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.6 mt -61.34 -36.04 79.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.414 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -61.98 -46.11 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -61.39 -45.18 95.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.494 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.41 -40.53 97.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 21.5 t80 -62.33 -37.68 86.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.693 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.52 -27.61 69.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.97 -35.84 25.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.74 123.47 5.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.746 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -73.22 -3.99 30.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.686 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.2 m-85 -108.32 179.95 4.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.518 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 mt -145.77 126.4 14.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 111.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -93.52 164.6 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.924 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.51 -47.92 72.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 0.0 109.985 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -60.14 -40.62 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.469 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.31 -44.58 75.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 111.058 -179.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -63.83 -47.54 80.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -39.26 85.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.95 -49.15 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -39.57 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.638 ' HA ' HD11 ' A' ' 45' ' ' ILE . 53.4 p -60.66 -47.11 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -68.95 -39.81 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.451 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -50.32 62.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.724 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.0 mt -85.22 -11.12 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.62 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 32.0 63.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -110.02 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -82.83 135.72 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.31 -42.04 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.95 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.971 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.494 ' HG2' HG21 ' A' ' 6' ' ' THR . 0.3 OUTLIER -68.46 -41.95 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.475 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 35' ' ' SER . 22.3 mt -65.74 -42.45 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.237 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -58.82 -45.96 88.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.476 HG22 ' OD1' ' A' ' 51' ' ' ASN . 54.9 mt -64.23 -39.94 87.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.642 ' NE1' HD22 ' A' ' 13' ' ' LEU . 91.1 t90 -61.69 -47.18 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.726 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.86 -42.0 97.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.71 99.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.476 ' OD1' HG22 ' A' ' 47' ' ' ILE . 27.8 m120 -67.0 -40.99 87.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.758 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -67.59 -39.67 84.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.73 -18.45 64.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.402 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 51' ' ' ASN . . . -69.88 -21.09 63.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.585 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 -46.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.645 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 52' ' ' LYS . 2.6 mt 79.34 -60.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 126.71 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.8 149.26 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.832 0.349 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 90.54 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 62.13 149.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.05 165.36 19.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 67.48 90.57 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 151.51 50.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.474 2.116 . . . . 0.0 112.102 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.64 38.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.1 p -135.54 -67.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.93 60.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.117 0.484 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -113.09 161.61 16.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -114.18 161.1 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -53.44 -46.72 69.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.71 -40.25 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' HD12 ' A' ' 16' ' ' LEU . 65.4 mt-30 -66.76 -42.89 85.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.8 mt -66.56 -37.27 84.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.494 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.54 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -44.77 89.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.326 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 45' ' ' ILE . 3.1 mt -63.3 -37.51 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.789 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 14.8 tttt -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -43.06 96.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.61 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' HD11 ' A' ' 34' ' ' LEU . 1.2 mt-10 -65.93 -44.87 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 22.3 t80 -64.93 -32.83 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -83.11 -34.53 26.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.854 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.59 109.14 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -73.09 2.06 7.85 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.924 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 18.9 m-85 -109.48 124.51 51.19 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 26' ' ' LEU . 10.0 mt -94.07 -177.28 4.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.342 0.591 . . . . 0.0 111.505 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 p -150.47 169.19 22.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.585 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.21 -50.89 69.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.1 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.516 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 34' ' ' LEU . 5.3 mtp180 -68.17 -39.96 82.41 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -64.07 -54.54 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -35.22 79.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.775 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.91 -52.88 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -61.5 -36.15 79.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.541 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.3 m -60.76 -49.52 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -70.82 -40.59 72.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.264 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.01 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.956 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . 76.9 mt -85.25 -12.11 53.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.795 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.86 53.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.32 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.35 164.22 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -82.88 134.91 35.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 45' ' ' ILE . 50.8 mt-10 -50.56 -36.74 35.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.43 -44.9 70.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.715 HG23 HD21 ' A' ' 16' ' ' LEU . 4.2 mt -64.49 -42.78 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -58.77 -45.99 88.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.434 HG22 HD22 ' A' ' 51' ' ' ASN . 39.2 mt -65.68 -37.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 86.5 t90 -61.2 -46.98 88.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.88 -43.8 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -43.23 98.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.434 HD22 HG22 ' A' ' 47' ' ' ILE . 4.7 m-80 -65.2 -42.11 93.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -67.38 -28.34 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HD3' ' CE1' ' A' ' 25' ' ' TYR . 3.4 mtm180 -70.96 -34.85 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.17 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.536 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 5.9 mttm -74.0 -50.96 17.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.583 ' H ' HD12 ' A' ' 56' ' ' ILE . 4.2 mp -78.14 -41.8 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.71 -178.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -90.25 -50.11 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.5 ttp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.824 0.345 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -147.04 125.96 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -93.47 -31.36 14.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 149.21 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.268 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.478 ' HD2' ' HD2' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -124.48 143.66 43.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' HD2' ' HD2' ' A' ' 3' ' ' ARG . 55.8 Cg_exo -52.73 114.52 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.473 2.115 . . . . 0.0 112.358 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -140.9 97.17 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 108.68 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.53 98.75 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.476 ' CE1' HD22 ' A' ' 40' ' ' LEU . 8.4 m-85 -124.65 -167.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.061 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.682 ' O ' HD23 ' A' ' 13' ' ' LEU . 18.4 p -113.96 155.09 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -38.92 64.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.631 ' HB3' HD13 ' A' ' 38' ' ' LEU . 72.8 mt-30 -66.78 -31.9 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.709 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 9' ' ' SER . 3.5 mm? -65.04 -42.71 94.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.168 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.79 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -47.08 86.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 9.7 mt -60.86 -44.43 97.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.393 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -61.31 -39.41 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -61.37 -45.93 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.31 -34.84 79.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.518 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 75.0 t80 -64.61 -40.02 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.399 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.78 -26.15 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.817 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.805 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -158.51 121.02 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -73.61 2.28 8.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.829 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -124.82 131.55 53.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 26' ' ' LEU . 8.9 mt -95.76 -179.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.225 0.536 . . . . 0.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -145.97 169.16 19.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.463 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -50.04 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.964 0.411 . . . . 0.0 110.244 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -58.85 -45.58 89.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -66.71 -41.72 87.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -52.56 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.69 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -51.99 48.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.663 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.96 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.517 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -60.75 -48.9 79.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.68 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -69.54 -38.32 77.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.47 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -58.62 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.882 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 12' ' ' GLN . 10.8 mt -85.28 -13.69 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.847 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.21 41.32 39.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.359 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD22 ' CE1' ' A' ' 8' ' ' PHE . 13.7 mt -113.73 170.81 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' HB2' ' HG3' ' A' ' 44' ' ' GLN . 5.6 m120 -82.86 133.05 35.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.48 -39.33 47.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.19 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 14.4 mt-30 -69.71 -36.4 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 35' ' ' SER . 46.5 mt -67.85 -46.08 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.539 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mt -66.05 -37.15 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.8 t90 -60.57 -48.65 80.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.725 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.9 m-85 -63.99 -45.25 89.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.4 -41.43 98.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.741 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -71.25 -31.58 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -67.42 -32.41 73.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.807 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -48.19 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.59 -21.13 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.392 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -73.95 -25.98 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.72 0.295 . . . . 0.0 111.081 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mt -112.16 74.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -79.71 97.92 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 99.57 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.865 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.77 0.319 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.85 164.58 26.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.47 79.25 2.26 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -118.4 75.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 119.53 0.58 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.08 130.52 41.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.438 2.092 . . . . 0.0 112.168 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.38 33.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -136.78 21.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.08 112.9 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 31.2 m-85 -114.12 -160.9 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.724 ' O ' HD23 ' A' ' 13' ' ' LEU . 3.3 p -108.28 155.66 20.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -53.45 -38.11 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -49.3 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.76 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.762 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 9' ' ' SER . 2.3 mm? -63.45 -49.02 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.268 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.89 99.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -63.41 -50.2 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 12.4 mt -60.68 -45.23 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.03 -38.28 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -44.29 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.342 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -68.7 -34.66 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.3 -35.6 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.807 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.9 -31.77 72.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.08 -33.64 26.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.453 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -157.36 122.04 4.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.546 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -73.09 -3.86 28.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -110.51 -170.62 1.68 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.751 0.31 . . . . 0.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.1 mt -149.77 131.4 14.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.026 0.441 . . . . 0.0 111.157 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.58 165.07 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.905 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -49.72 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.046 0.451 . . . . 0.0 110.194 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -58.87 -38.9 79.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.13 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.7 tpm_? -69.74 -48.83 57.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.281 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -44.59 96.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.609 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 16.0 pt20 -67.45 -40.26 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.76 -45.39 78.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.61 -39.62 94.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' ILE . 19.8 p -60.66 -48.43 81.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.94 -48.32 63.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.701 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -42.48 93.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 5.8 mt -85.23 -21.33 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.47 31.81 40.11 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.339 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 171.47 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -82.24 139.67 34.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 45' ' ' ILE . 20.6 mt-10 -51.77 -39.49 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.3 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -42.09 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -64.99 -44.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.431 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -45.6 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.58 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.997 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 61.8 t90 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.711 0.291 . . . . 0.0 110.628 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.01 -47.6 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.15 96.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.747 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -70.57 -35.21 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' TRP . 5.1 tmtm? -66.16 -39.54 89.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.717 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -31.44 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.766 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.8 -17.79 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.368 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.05 -30.28 62.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 mt -76.17 -54.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -75.27 64.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.714 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -80.46 149.4 30.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 11.6 ptp . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.37 -176.4 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -77.13 -50.63 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -177.74 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.1 92.37 12.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.85 -49.08 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.462 2.108 . . . . 0.0 112.491 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.09 155.09 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' NE2' ' A' ' 44' ' ' GLN . 1.3 p -92.73 109.62 21.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.14 92.35 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -76.91 -174.16 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.606 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 p -120.59 158.54 27.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.58 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.48 -40.84 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.474 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -45.57 92.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.57 ' O ' HD12 ' A' ' 16' ' ' LEU . 50.0 mt-30 -66.85 -31.55 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 9' ' ' SER . 1.4 mm? -65.19 -50.1 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.612 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -46.45 88.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 12' ' ' GLN . 14.6 mt -64.87 -42.05 95.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.04 -35.66 80.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.679 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -50.98 59.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -41.43 97.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 52' ' ' LYS . 51.0 t80 -61.93 -41.56 98.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.59 -26.32 68.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -83.04 -37.81 23.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -158.95 119.48 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 3.5 mtp180 -73.17 0.43 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.721 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -116.57 136.29 53.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.786 0.327 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.4 mt -99.9 179.53 4.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.31 0.576 . . . . 0.0 111.445 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.5 p -146.93 167.69 23.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.448 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -56.16 -48.07 77.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.03 0.443 . . . . 0.0 110.098 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -59.34 -46.53 88.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.335 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.677 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -66.93 -42.05 85.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.65 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -52.07 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.116 0.484 . . . . 0.0 110.734 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.296 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -66.94 -41.75 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.823 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -63.12 -43.24 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.74 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.981 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -70.55 -40.87 73.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.95 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.6 OUTLIER -69.02 -54.14 16.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.987 -178.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 34' ' ' LEU . 41.9 mt -85.17 -15.98 41.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.675 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.33 45.22 19.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.436 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD ' ' A' ' 12' ' ' GLN . 7.5 mt -124.65 170.71 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.357 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -82.81 140.4 32.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.0 mt-10 -51.73 -41.64 61.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.77 74.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' NE2' HG22 ' A' ' 6' ' ' THR . 51.6 mt-30 -69.26 -44.84 71.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.2 mt -65.94 -41.44 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.31 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -45.93 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.87 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 40.1 mt -66.98 -40.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.473 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 54.8 t90 -60.61 -44.94 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.06 -48.31 76.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.29 -42.1 99.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -66.61 -37.21 84.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.13 -36.56 83.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.704 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.647 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.32 66.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.62 -20.94 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.426 HD11 ' CE2' ' A' ' 20' ' ' PHE . 41.5 mt -66.66 -59.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -85.09 56.35 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.79 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -94.09 -51.1 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.852 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 25.4 mtp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.855 0.36 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -158.78 109.36 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.14 -57.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.27 -170.96 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.59 154.19 83.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.18 -33.61 4.29 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.602 2.201 . . . . 0.0 112.26 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 63.9 134.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 6' ' ' THR . 4.2 t -65.94 109.07 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.81 119.53 35.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -84.91 -176.7 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -95.54 163.31 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.409 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 t -53.4 -46.12 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.853 0.358 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -42.96 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.741 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' HD12 ' A' ' 16' ' ' LEU . 76.8 mt-30 -66.45 -52.27 48.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.738 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -61.59 -36.56 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.621 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.59 85.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -66.11 -44.91 82.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.513 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.0 mt -62.74 -39.47 94.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.709 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.0 -43.63 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.299 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -44.65 94.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.457 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.55 -37.97 88.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 63.2 t80 -63.01 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.744 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -28.62 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.456 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -83.01 -34.23 26.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.684 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -156.73 125.49 5.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -73.23 -9.26 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.55 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -112.15 -177.09 3.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.98 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 30' ' ' ARG . 7.7 mt -140.25 -175.22 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 p -149.26 164.45 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.755 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.19 -49.5 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.932 0.396 . . . . 0.0 110.394 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.96 -43.78 91.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.329 179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.6 ttm180 -67.82 -44.75 76.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.488 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' NE ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 ttp-105 -58.9 -50.85 72.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -40.51 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.518 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -66.9 -47.27 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.686 0.279 . . . . 0.0 110.869 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -60.33 -42.37 95.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.867 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 45' ' ' ILE . 85.5 p -61.04 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -69.79 -38.18 76.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 1.4 tt0 -63.83 -54.14 39.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.6 mt -85.23 -28.83 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.661 0.267 . . . . 0.0 111.438 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.78 42.2 3.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.66 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 35' ' ' SER . 8.9 mt -121.73 171.99 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.622 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.8 134.19 35.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.782 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HA ' HD12 ' A' ' 45' ' ' ILE . 1.7 mt-10 -53.15 -38.09 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.22 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -69.81 -41.9 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 42' ' ' GLU . 11.2 mt -66.96 -42.7 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.301 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' NE ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -58.79 -45.86 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.7 -39.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.657 ' HE1' HD21 ' A' ' 13' ' ' LEU . 81.7 t90 -60.68 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.4 m-85 -63.92 -46.82 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.27 -39.1 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.78 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.411 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 2.2 m-80 -71.67 -39.74 70.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.981 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 1.5 tmtt? -66.18 -35.79 81.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.904 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HA ' HG22 ' A' ' 56' ' ' ILE . 53.3 ttp85 -71.02 -35.82 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.914 0.388 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.86 74.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.478 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HE2' ' O ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.44 -41.12 25.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -179.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 53' ' ' ARG . 1.1 tt -63.1 -17.03 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.423 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.3 mttm 65.09 178.96 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -131.58 -41.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.853 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.831 0.348 . . . . 0.0 111.391 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.42 37.75 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.811 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.26 164.47 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 174.3 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 62.62 61.72 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 23.9 Cg_exo -63.72 177.99 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.565 2.177 . . . . 0.0 112.144 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 32.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 34.73 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.707 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.18 86.26 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.342 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.8 -179.28 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.752 ' O ' HD23 ' A' ' 13' ' ' LEU . 9.7 p -117.19 151.47 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.547 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -53.32 -38.05 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.538 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.96 83.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.053 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HA ' HD22 ' A' ' 38' ' ' LEU . 34.9 mt-30 -67.86 -31.62 71.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.919 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 9' ' ' SER . 2.9 mm? -63.26 -48.83 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.399 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -43.03 99.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.586 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 15.4 mt -63.58 -47.42 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -39.51 89.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.53 94.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.393 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.29 -37.9 86.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -65.2 -38.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -66.63 -33.05 74.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -83.01 -35.61 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.042 0.449 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -156.77 118.57 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.29 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 -73.12 -1.51 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -109.08 -179.42 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 110.664 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 45' ' ' ILE . 3.8 mt -146.28 128.84 16.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 111.282 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -93.6 164.86 13.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.752 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.73 -46.19 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.089 0.471 . . . . 0.0 110.271 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 5.5 mpt_? -62.39 -39.55 93.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.362 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.7 mtm-85 -69.78 -39.74 76.45 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 120.809 0.337 . . . . 0.0 110.7 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG3' HD13 ' A' ' 26' ' ' LEU . 5.6 mtm180 -62.78 -46.79 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.352 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.18 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -66.89 -50.07 63.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.2 mt -62.12 -35.11 77.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.443 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.525 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -61.01 -51.19 70.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.577 179.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -46.8 65.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.55 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.53 -41.98 96.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.104 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 12' ' ' GLN . 90.6 mt -85.26 -29.36 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.6 29.62 15.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.197 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD11 ' CD ' ' A' ' 12' ' ' GLN . 1.3 mt -123.24 172.16 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 45' ' ' ILE . 1.5 m120 -82.76 143.71 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.194 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.18 -39.77 57.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.61 -46.78 68.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.541 HG22 HD11 ' A' ' 26' ' ' LEU . 2.5 mp -64.51 -41.06 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.368 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -45.81 89.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 ' OD1' ' A' ' 51' ' ' ASN . 43.6 mt -64.06 -39.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 68.4 t90 -60.68 -43.53 97.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 1.4 m-85 -64.21 -48.51 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.08 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -35.98 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 47' ' ' ILE . 24.8 m120 -70.46 -47.02 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 3.8 tptp -66.49 -29.42 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -71.11 -36.46 72.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.85 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 19.9 mtmt -74.8 -28.09 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.969 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 mt -132.08 83.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -100.23 141.24 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 mttp 54.89 69.67 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.925 0.393 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.08 -66.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -118.33 113.28 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 27.27 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.04 68.7 0.49 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 117.28 5.01 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.529 2.153 . . . . 0.0 112.194 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -177.35 153.51 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.681 HG21 ' CG ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -98.52 133.61 42.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.735 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.56 99.04 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -86.05 -175.47 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p -118.52 158.05 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -53.43 -40.1 64.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.993 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.18 -42.3 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -66.81 -41.71 87.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -42.78 94.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.728 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.39 90.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.34 -42.65 87.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' CE3' ' A' ' 48' ' ' TRP . 7.4 mt -62.98 -43.23 99.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -41.63 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -61.06 -44.46 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.83 -38.59 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CD1' ' HD3' ' A' ' 52' ' ' LYS . 64.4 t80 -64.99 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -29.31 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -82.98 -35.3 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -161.15 110.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 27.5 mtm180 -73.1 -2.18 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.891 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -113.32 123.84 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' ARG . 10.0 mt -90.2 -177.62 5.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.338 0.59 . . . . 0.0 111.612 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -151.0 171.09 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.575 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.15 -50.75 70.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.97 -45.71 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.514 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.583 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -37.18 84.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.823 0.344 . . . . 0.0 111.266 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' NE ' ' HB3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -62.19 -54.5 40.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.87 72.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.041 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -50.64 61.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.45 -42.95 99.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -48.59 57.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.689 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.52 -42.51 99.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.078 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.8 mt -85.21 -52.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.214 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 39.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.149 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.07 178.21 5.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -82.82 140.05 33.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HB3' ' NE ' ' A' ' 31' ' ' ARG . 46.7 mt-10 -52.55 -41.14 63.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.73 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.74 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.798 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.681 ' CG ' HG21 ' A' ' 6' ' ' THR . 1.9 mp0 -69.21 -38.51 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.81 -46.38 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.393 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -45.87 88.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.052 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.21 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.479 ' CE3' HD22 ' A' ' 16' ' ' LEU . 77.0 t90 -60.55 -49.21 78.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.769 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 2.1 m-85 -63.91 -45.54 88.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.22 -40.03 84.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.564 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 1.3 t-20 -68.12 -46.09 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.21 -33.0 74.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.97 -24.38 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.41 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 8.4 mmtt -74.02 -37.02 64.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.11 -41.31 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 138.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -59.06 159.06 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.914 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.49 178.83 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -149.2 35.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -118.26 110.5 17.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 114.18 59.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.96 -159.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.49 2.126 . . . . 0.0 112.072 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.42 175.09 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.2 p -84.7 -47.29 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.447 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.87 46.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 111.372 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -110.46 141.78 43.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.935 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 p -101.87 160.27 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.754 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -53.45 -45.06 69.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -37.68 84.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.64 ' O ' HD12 ' A' ' 16' ' ' LEU . 90.6 mt-30 -66.75 -46.75 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.465 HD22 ' NE1' ' A' ' 48' ' ' TRP . 3.9 mt -65.29 -35.11 80.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.379 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -46.45 88.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.334 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 12' ' ' GLN . 2.2 mt -62.72 -35.96 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -62.78 -45.55 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -61.83 -46.06 91.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.27 -37.87 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 59.9 t80 -64.62 -39.43 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.825 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -27.83 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -83.11 -33.64 26.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 116.95 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.265 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.19 -2.38 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.089 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -108.1 175.9 5.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.751 0.31 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 45' ' ' ILE . 4.8 mt -142.63 131.35 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.397 . . . . 0.0 111.159 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -93.55 162.64 13.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.991 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.37 -47.27 72.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.171 0.51 . . . . 0.0 110.022 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -40.35 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.41 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -68.36 -42.87 78.59 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 -179.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.46 -51.62 69.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -40.45 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -66.9 -41.14 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.735 0.303 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 2.2 mt -65.84 -40.54 91.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.501 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 45' ' ' ILE . 1.4 t -60.72 -51.6 68.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.748 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -47.29 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -62.57 -45.36 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 12' ' ' GLN . 14.6 mt -85.23 -42.89 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.238 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.43 32.22 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.204 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.14 165.01 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . 2.6 t-20 -78.01 137.97 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 45' ' ' ILE . 36.8 mt-10 -50.66 -39.37 50.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.181 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.76 81.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HG2' ' HB3' ' A' ' 41' ' ' ASN . 35.5 mm-40 -69.4 -40.02 77.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 42' ' ' GLU . 5.2 mt -65.56 -44.54 93.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.393 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.77 -46.16 88.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.685 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.8 -39.74 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.72 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.465 ' NE1' HD22 ' A' ' 13' ' ' LEU . 87.7 t90 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.462 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -65.81 -48.55 71.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.806 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -63.31 -36.58 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.58 -41.76 79.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.45 -43.7 84.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.18 -37.15 78.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.98 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -76.17 -8.76 57.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.375 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.34 -51.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -86.12 107.19 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.74 91.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.853 0.359 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.88 147.05 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.9 153.08 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -127.04 -41.39 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -71.17 134.42 85.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.8 178.02 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.388 2.059 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm105 -89.78 142.73 27.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' CE2' ' A' ' 8' ' ' PHE . 9.6 p -147.75 -71.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.48 46.11 15.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.064 0.459 . . . . 0.0 111.231 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 6' ' ' THR . 10.0 m-85 -92.35 -166.82 1.62 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.504 ' O ' HD23 ' A' ' 13' ' ' LEU . 13.6 p -124.86 155.99 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -40.91 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.445 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.01 -45.32 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.035 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.731 ' HG2' HD22 ' A' ' 38' ' ' LEU . 84.0 mt-30 -66.73 -34.83 78.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.106 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 9' ' ' SER . 1.7 mm? -62.86 -48.41 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.291 179.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.3 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.28 79.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.518 179.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CH2' ' A' ' 48' ' ' TRP . 28.0 mt -63.09 -45.02 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.799 179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -38.89 92.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -47.56 84.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.08 -31.48 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 81.4 t80 -63.02 -44.05 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.47 -27.1 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -82.95 -35.5 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 121.76 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.719 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mtp180 -73.14 -5.28 38.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.634 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -109.58 -177.79 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 mt -146.78 129.28 15.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.419 HG23 HH11 ' A' ' 30' ' ' ARG . 6.7 p -93.51 166.81 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.054 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.42 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.093 0.473 . . . . 0.0 109.91 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.53 -39.34 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.369 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.668 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -68.49 -46.13 70.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.769 0.319 . . . . 0.0 111.122 -179.45 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -57.57 -48.63 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.379 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.47 -36.13 80.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.471 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -53.06 35.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -38.07 89.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.54 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.634 ' HA ' HD11 ' A' ' 45' ' ' ILE . 87.8 p -60.71 -49.8 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.54 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -69.59 -42.44 74.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.379 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.53 -52.5 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.785 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD22 ' HG2' ' A' ' 12' ' ' GLN . 58.4 mt -85.19 -12.73 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.747 -179.373 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.91 27.91 61.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -108.63 166.53 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -82.9 141.81 31.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -52.65 -39.0 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.91 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -44.43 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.368 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 35' ' ' SER . 25.4 mt -64.99 -41.89 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.28 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -58.89 -45.74 89.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.709 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.87 -39.84 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.747 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' CH2' ' HB3' ' A' ' 16' ' ' LEU . 72.1 t90 -60.66 -46.27 90.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.468 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.3 m-85 -65.99 -41.91 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.08 98.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -35.88 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -70.93 -42.91 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' HA ' HG22 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -70.59 -29.2 65.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -32.5 70.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.992 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -50.25 11.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 53' ' ' ARG . 1.4 tt -55.45 -26.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -56.36 145.33 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -46.98 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -144.38 153.19 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -166.91 150.4 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 -31.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -109.05 84.56 2.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.678 0.275 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -72.81 -76.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.393 2.062 . . . . 0.0 112.424 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.52 137.66 0.16 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.732 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 p 52.16 55.3 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.76 68.99 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.16 0.505 . . . . 0.0 110.971 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.62 170.81 10.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -110.64 160.79 16.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -46.73 70.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.62 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.425 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.799 ' O ' HD12 ' A' ' 16' ' ' LEU . 88.8 mt-30 -66.65 -45.59 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.737 HD21 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -66.77 -38.68 87.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.723 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.71 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -66.02 -52.07 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -61.25 -39.92 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.799 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -62.92 -44.18 96.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -60.17 -42.73 95.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.705 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.26 -34.87 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.616 179.627 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 44.1 t80 -65.13 -38.89 92.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.45 -31.68 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.03 -34.38 26.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.19 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -156.77 116.27 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.546 179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 mtt85 -73.18 -4.01 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.655 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.59 -178.19 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 30' ' ' ARG . 6.5 mt -145.09 176.99 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 p -146.51 165.02 30.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.656 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -56.07 -51.08 69.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -60.18 -36.4 77.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.133 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HB3' HD22 ' A' ' 26' ' ' LEU . 1.4 ttm180 -70.57 -48.23 56.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -59.2 -47.03 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.605 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -67.48 -35.3 78.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.91 -51.89 49.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.705 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.4 mp -64.76 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.025 0.441 . . . . 0.0 110.273 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -60.66 -49.31 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -70.35 -46.45 64.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.643 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.56 -46.16 89.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.059 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.27 -50.15 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.329 . . . . 0.0 111.297 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.06 45.76 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.73 164.93 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 110.798 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -80.49 139.72 36.26 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.98 0.419 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.897 ' HA ' HD12 ' A' ' 45' ' ' ILE . 27.0 mt-10 -50.64 -36.86 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.108 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.02 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 47' ' ' ILE . 4.8 mm-40 -69.36 -40.51 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.365 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 42' ' ' GLU . 6.6 mt -64.54 -43.5 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.091 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -45.86 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.762 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 44' ' ' GLN . 17.5 mt -62.19 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.737 ' HE1' HD21 ' A' ' 13' ' ' LEU . 89.3 t90 -60.64 -48.13 83.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -43.87 94.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.35 -42.06 98.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.76 -36.23 78.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 2.6 tttm -67.8 -29.75 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -69.23 -42.26 75.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.786 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.59 -30.85 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -78.92 -25.71 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.423 HD12 ' HD3' ' A' ' 52' ' ' LYS . 39.9 mt -112.96 74.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -158.42 74.19 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.79 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -81.29 163.27 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.5 mtm . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.88 0.371 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.32 126.67 28.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.79 95.42 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -119.51 153.61 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -83.86 126.09 71.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 37.7 Cg_exo -57.19 138.6 87.01 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.378 2.052 . . . . 0.0 112.162 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -171.1 161.03 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.83 124.45 29.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.325 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -99.23 -170.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -115.93 157.63 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -53.39 -45.08 69.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.62 -38.52 87.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 16' ' ' LEU . 56.3 mt-30 -66.8 -46.15 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mt -65.07 -35.59 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.4 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -66.58 -44.9 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 12' ' ' GLN . 5.9 mt -61.68 -38.89 89.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.534 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -63.03 -46.01 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.565 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.0 94.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.745 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.94 -37.67 79.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 41.7 t80 -63.57 -36.79 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.775 179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.64 -29.85 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.96 -34.05 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.15 118.93 3.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -73.09 -5.31 38.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.62 -176.17 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.603 0.239 . . . . 0.0 110.463 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 30' ' ' ARG . 3.7 mt -148.71 129.93 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 111.48 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 p -93.59 166.83 12.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.981 178.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.11 -51.25 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 110.234 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -60.54 -36.71 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.81 -46.14 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.02 0.438 . . . . 0.0 110.892 -179.761 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' CD ' ' HG3' ' A' ' 46' ' ' LYS . 21.9 ttp180 -61.46 -54.55 41.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.88 -40.11 87.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.85 -47.79 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.403 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD23 ' A' ' 16' ' ' LEU . 3.2 mp -62.17 -35.39 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.161 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.679 ' HA ' HD11 ' A' ' 45' ' ' ILE . 10.0 p -60.67 -51.45 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.399 179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -36.83 76.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.443 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.09 -49.19 65.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.06 -178.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 12' ' ' GLN . 53.9 mt -85.19 -28.48 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.517 -179.078 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.28 33.92 6.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 38' ' ' LEU . 1.1 mt -124.53 174.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.65 32.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.959 0.409 . . . . 0.0 111.185 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.764 ' HA ' HD12 ' A' ' 45' ' ' ILE . 2.2 mp0 -51.27 -41.75 60.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.66 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -68.88 -42.05 77.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.4 mt -66.12 -41.04 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.182 179.166 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -45.59 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.326 179.286 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 17.6 mt -63.18 -41.1 91.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.87 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.51 ' NE1' HD22 ' A' ' 13' ' ' LEU . 89.1 t90 -60.16 -47.62 85.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 26' ' ' LEU . 2.2 m-85 -63.96 -45.92 86.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -40.36 97.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.582 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -70.23 -36.52 74.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.767 179.855 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -66.18 -41.2 90.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.875 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -64.75 -37.12 86.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.47 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.25 -20.93 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -74.19 -37.78 63.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.722 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 mt -85.51 -52.61 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 61.53 171.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 -26.62 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.872 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.0 ttm . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.817 0.341 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.98 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.704 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -91.18 40.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.871 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -124.31 -60.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -125.09 101.83 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.97 -179.14 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.476 2.117 . . . . 0.0 112.54 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.705 ' HG2' HG22 ' A' ' 6' ' ' THR . 0.0 OUTLIER -76.03 -29.96 58.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.108 -179.808 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.705 HG22 ' HG2' ' A' ' 5' ' ' ARG . 7.1 t -178.78 124.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.35 103.61 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -85.28 167.4 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -108.1 160.96 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -46.64 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.2 -38.45 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' O ' HD12 ' A' ' 16' ' ' LEU . 93.5 mt-30 -66.88 -45.6 77.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.735 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 13' ' ' LEU . 4.5 mt -66.81 -35.59 80.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.39 90.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -46.51 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 12' ' ' GLN . 1.4 mt -63.03 -39.23 94.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -46.67 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -38.15 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -39.98 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.659 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 28.5 t80 -62.31 -38.75 90.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -28.42 69.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -82.92 -38.36 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -157.25 103.78 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -73.16 -0.6 14.65 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.591 179.758 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 115.18 29.67 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.639 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 49' ' ' PHE . 7.4 mt -90.36 174.08 7.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.295 0.569 . . . . 0.0 111.462 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 30' ' ' ARG . 20.8 p -146.43 170.74 16.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.448 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.1 -51.1 69.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -60.43 -42.89 96.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.437 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HB2' ' H ' ' A' ' 27' ' ' THR . 2.1 mtp85 -66.73 -39.68 88.05 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.085 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -63.43 -51.78 64.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 0.0 110.588 179.885 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -35.73 82.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.98 -49.29 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.674 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD23 HD23 ' A' ' 16' ' ' LEU . 1.9 mp -60.04 -41.01 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.757 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -48.81 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -37.28 77.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.724 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -54.38 40.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.988 -179.099 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.3 -46.6 10.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.59 42.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.37 173.37 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -82.66 136.67 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -52.05 -39.73 60.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.9 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -43.32 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 42' ' ' GLU . 3.5 mt -66.71 -41.21 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.407 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.5 tmtm? -58.73 -46.1 88.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.87 -37.79 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 82.6 t90 -60.63 -51.74 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CD2' ' HG ' ' A' ' 26' ' ' LEU . 1.2 m-85 -63.92 -41.71 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -68.42 -41.37 80.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -68.23 -40.61 82.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.51 179.717 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -66.11 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.735 179.81 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.97 -16.68 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.496 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -31.18 62.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.719 0.295 . . . . 0.0 111.011 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 53' ' ' ARG . 2.6 mt -74.5 -68.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.07 -175.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -112.79 166.51 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.925 -179.945 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -116.8 128.61 55.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.88 36.69 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -74.45 -43.65 55.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 100.38 3.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.128 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.07 141.46 11.76 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.601 2.2 . . . . 0.0 112.159 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.9 105.91 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -121.28 74.93 1.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.28 45.57 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.126 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -101.12 159.65 15.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.801 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 p -102.92 160.44 14.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m -53.35 -41.18 65.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.803 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.13 -44.89 78.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.64 -43.21 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.536 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.6 mt -66.84 -35.6 80.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.6 85.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -64.19 -47.63 79.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.666 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 48' ' ' TRP . 4.9 mt -61.87 -41.85 98.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.95 -40.94 99.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.522 179.661 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.72 88.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.327 179.68 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.28 -32.2 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.433 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 24' ' ' ARG . 76.6 t80 -65.23 -38.66 91.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.007 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -62.54 -31.35 72.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.0 -33.12 26.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.34 109.49 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.626 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 7.6 ptp180 -73.21 0.19 12.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.837 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 1.7 m-85 -101.07 -173.75 2.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 45' ' ' ILE . 5.2 mt -149.69 -179.97 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.215 0.531 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 p -152.07 165.48 34.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.932 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.17 -51.15 69.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.394 . . . . 0.0 110.476 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.54 91.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.255 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -67.0 -43.31 83.26 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.617 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HD2' ' CG ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -60.6 -47.0 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -38.54 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -50.58 56.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 38' ' ' LEU . 18.6 mt -65.41 -37.27 86.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.686 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 45' ' ' ILE . 60.5 p -60.68 -50.96 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.758 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.8 m -69.64 -46.06 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.635 -179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.26 -46.36 84.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.125 -178.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 34' ' ' LEU . 71.6 mt -85.21 -22.7 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.0 34.78 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.837 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.9 mt -124.7 164.61 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.618 0.246 . . . . 0.0 110.562 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.486 HD22 ' HB3' ' A' ' 43' ' ' ALA . 5.8 p-10 -82.9 146.61 28.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.165 -179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -50.48 -38.53 44.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.325 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -64.66 -35.97 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -44.74 70.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.665 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 35' ' ' SER . 4.6 mt -64.75 -42.36 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.44 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -58.75 -46.0 88.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.67 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 16' ' ' LEU . 87.4 t90 -60.66 -46.44 90.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.46 -43.4 90.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -41.36 98.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.89 -40.97 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 1.1 tptp -66.74 -32.34 73.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.782 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -66.56 -36.85 83.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.791 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -11.76 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.459 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -74.08 -44.9 52.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.8 mp -88.06 -42.26 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -90.05 103.42 16.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.728 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -32.93 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.353 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.971 -179.988 . . . . . . . . 0 0 . 1 stop_ save_