data_2kiq_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 2kiq _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 ' 5' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.784 0.802 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 47.34 20.12 0.15 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.505 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.71 -47.57 85.1 Favored 'General case' 0 C--N 1.376 1.752 0 C-N-CA 122.719 0.407 . . . . 0.0 110.58 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.14 99.55 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.799 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.77 -44.29 86.27 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -64.77 -40.69 95.69 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.88 -47.66 82.35 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -42.25 99.61 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 120.854 0.359 . . . . 0.0 110.781 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.14 -40.81 91.11 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.539 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 tpt -66.15 -45.04 82.42 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mmm -63.71 -43.45 96.53 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.1 -29.11 65.99 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -91.21 -18.48 24.36 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 123.202 0.601 . . . . 0.0 110.974 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.73 11.73 21.37 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 118.839 -0.601 . . . . 0.0 110.374 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.4 mmtt -24.17 116.14 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.873 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 124.576 1.172 . . . . 0.0 108.599 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.604 HD21 ' H ' ' A' ' 22' ' ' ASN . 2.2 m-80 -49.31 121.48 11.31 Favored Pre-proline 0 CA--C 1.606 3.115 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.424 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.6 -15.92 41.89 Favored 'Trans proline' 0 N--CA 1.528 3.501 0 C-N-CA 122.286 1.991 . . . . 0.0 112.298 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -90.86 -4.29 56.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.6 0.563 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 153.11 42.56 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -97.64 168.34 10.41 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.932 0.77 . . . . 0.0 109.104 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.51 -43.87 96.62 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.061 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -57.59 -42.04 82.39 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.448 0.299 . . . . 0.0 110.93 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.26 -45.23 66.85 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 120.69 0.281 . . . . 0.0 111.057 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -65.99 -44.76 83.91 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.062 0.458 . . . . 0.0 111.224 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.89 -39.97 91.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.325 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.36 77.08 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.44 -43.34 63.93 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.453 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -95.43 1.96 54.33 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 122.566 0.346 . . . . 0.0 110.936 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -35.38 49.7 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 122.523 0.329 . . . . 0.0 110.561 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.12 -11.87 59.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.268 0.355 . . . . 0.0 110.814 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.0 137.67 57.27 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -62.27 -33.43 74.61 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.363 0.602 . . . . 0.0 111.375 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -24.59 64.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.76 -52.27 32.23 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -73.57 -16.03 61.27 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.209 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.64 78.13 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.2 mt -89.25 119.05 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.54 -43.82 68.75 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.04 0.936 . . . . 0.0 110.869 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.36 111.65 16.96 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.359 0.6 . . . . 0.0 112.048 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.9 -33.52 75.77 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.869 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.86 -38.66 89.11 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.08 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.54 -43.1 95.06 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.632 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.21 -42.19 93.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.69 89.27 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.151 0.5 . . . . 0.0 110.347 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.44 -42.3 98.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.66 -47.92 84.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -62.81 -41.54 99.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.11 -40.85 82.45 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.879 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.97 -48.09 81.92 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.783 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.64 -45.09 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.43 92.29 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.18 64.47 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.439 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.54 90.63 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.4 mtt 43.61 26.99 0.14 Allowed 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.54 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.83 -39.93 78.81 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.925 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.77 91.07 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.27 -43.15 92.15 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.447 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.34 -42.45 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.65 -37.26 85.66 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.189 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.69 -48.59 76.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.652 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.87 -42.21 97.58 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 122.66 0.384 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.36 -41.39 93.58 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.314 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.85 -44.98 83.85 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.395 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.7 -43.12 99.63 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.23 -38.67 75.26 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.066 0.46 . . . . 0.0 109.999 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.1 -25.48 43.03 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.397 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -86.49 10.85 14.02 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ALA . 40.0 tptt -24.94 116.13 0.05 OUTLIER 'General case' 0 C--N 1.397 2.665 0 O-C-N 124.015 0.822 . . . . 0.0 109.404 -174.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -133.83 171.83 13.63 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 124.523 1.139 . . . . 0.0 108.862 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.89 122.27 9.13 Favored Pre-proline 0 CA--C 1.603 3.008 0 O-C-N 123.569 0.543 . . . . 0.0 110.633 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.42 -16.75 43.72 Favored 'Trans proline' 0 N--CA 1.53 3.674 0 C-N-CA 122.392 2.061 . . . . 0.0 112.263 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -89.61 -6.89 55.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 123.767 0.667 . . . . 0.0 110.993 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.54 46.28 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -95.8 169.44 10.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CD2' ' OE2' ' A' ' 50' ' ' GLU . 81.0 t80 -60.24 -43.77 95.78 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.704 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.422 ' HG ' ' N ' ' A' ' 29' ' ' GLU . 86.5 p -57.85 -41.44 82.37 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.881 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' N ' ' HG ' ' A' ' 28' ' ' SER . 50.7 mt-10 -70.08 -45.42 67.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 120.925 0.393 . . . . 0.0 110.413 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.01 -44.16 90.12 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.498 0.666 . . . . 0.0 111.376 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.13 -38.45 88.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.325 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.59 83.83 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 123.143 0.277 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -69.57 -42.38 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.046 0.538 . . . . 0.0 111.596 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -97.1 0.96 49.4 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.67 -37.14 49.24 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.532 0.333 . . . . 0.0 110.721 -177.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -81.68 -11.17 59.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.466 0.479 . . . . 0.0 110.663 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.46 140.85 58.64 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -61.79 -34.91 76.75 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.31 -28.03 66.81 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.947 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.78 -50.75 63.57 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.168 0.509 . . . . 0.0 111.119 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -75.74 -15.91 60.21 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.019 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.58 76.09 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.7 mm -89.72 114.13 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.06 -43.56 70.94 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.592 0.757 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.13 127.25 32.95 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.955 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.8 ttp -88.08 -27.43 21.97 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -63.04 -39.27 94.23 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.51 -34.16 77.61 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -65.03 -39.3 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 27' ' ' PHE . 72.7 mm-40 -59.94 -43.39 95.0 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -51.67 68.34 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.85 -43.77 95.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.607 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.77 -49.0 79.26 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.315 0.579 . . . . 0.0 109.909 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.9 -41.57 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.674 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -68.28 -41.27 81.26 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.924 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.06 -49.26 76.68 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.99 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.22 -44.62 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.99 92.54 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.03 -40.54 68.36 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.324 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.91 91.52 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.464 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.827 0.346 . . . . 0.0 110.563 -179.436 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 48.03 20.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.399 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.18 -43.18 96.07 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.65 96.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.027 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.51 -42.08 92.45 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.09 -40.58 94.8 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.869 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -63.29 -41.29 98.97 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.575 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.75 -49.39 75.22 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -62.65 -42.53 99.65 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.492 0.663 . . . . 0.0 110.562 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.53 -41.15 93.85 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.337 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.78 -42.08 86.64 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.513 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.99 -42.89 89.19 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.59 -42.46 78.19 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.218 0.532 . . . . 0.0 111.653 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -17.17 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.786 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.75 8.55 34.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 123.466 0.479 . . . . 0.0 109.973 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 19.1 tptm -22.76 118.39 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 O-C-N 124.043 0.84 . . . . 0.0 109.573 -174.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -135.23 173.37 11.79 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 123.954 0.784 . . . . 0.0 109.619 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -46.39 121.6 6.34 Favored Pre-proline 0 CA--C 1.584 2.273 0 O-C-N 123.942 0.776 . . . . 0.0 110.355 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.36 -16.72 39.41 Favored 'Trans proline' 0 N--CA 1.519 3.004 0 C-N-CA 122.382 2.055 . . . . 0.0 112.464 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -90.56 -3.12 57.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 123.641 0.588 . . . . 0.0 111.155 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.4 152.32 42.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.9 p -98.14 169.01 9.9 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 124.061 0.851 . . . . 0.0 108.74 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -60.25 -44.34 95.36 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.988 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -57.94 -39.96 79.34 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.414 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.01 -44.21 66.36 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.164 0.507 . . . . 0.0 111.044 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.68 -46.04 84.12 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.34 -38.41 90.04 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.327 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.15 83.79 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.405 0.441 . . . . 0.0 110.275 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -71.51 -43.33 66.69 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.761 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -94.4 5.13 52.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 123.498 0.499 . . . . 0.0 109.968 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.08 -39.42 59.71 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.608 0.242 . . . . 0.0 110.643 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -77.8 0.01 25.41 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.5 127.62 32.64 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.4 t -60.19 -24.24 64.63 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.027 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.44 -24.54 63.83 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.619 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.01 -47.21 60.06 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.053 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -73.62 -12.87 60.89 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.057 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.11 82.73 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.539 0.524 . . . . 0.0 109.731 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -92.21 116.11 32.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.82 -44.14 64.42 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.977 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.08 128.14 33.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.094 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 tpp -87.84 -27.61 22.13 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.909 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -62.86 -39.77 95.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.091 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.39 -37.37 87.26 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.83 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -65.65 -40.71 92.78 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -42.46 99.08 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.421 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 -46.59 88.22 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.5 -42.89 95.55 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.438 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.21 -46.98 87.86 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.636 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.61 -40.65 97.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.39 -41.32 80.69 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.36 -48.09 82.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.85 -45.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.2 94.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.71 67.09 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.516 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.67 95.2 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.679 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 . . . . . 0 CA--C 1.551 1.006 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.683 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.4 mtm 50.07 20.55 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.936 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.1 -48.33 80.65 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.23 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.13 94.05 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.989 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.56 -42.72 91.52 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.959 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.32 -39.46 93.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -62.18 -40.13 95.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.725 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -62.03 -50.18 73.05 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.498 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.22 -42.03 99.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.806 0.812 . . . . 0.0 111.453 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.27 -40.91 87.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.247 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.5 tpt -68.65 -43.6 75.89 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mmm -61.74 -43.01 99.68 Favored 'General case' 0 N--CA 1.508 2.438 0 C-N-CA 123.338 0.655 . . . . 0.0 112.525 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.25 -38.19 78.32 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.688 0.756 . . . . 0.0 109.627 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.9 -21.65 43.71 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.641 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.18 11.26 21.55 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.2 tppp? -23.39 118.38 0.04 OUTLIER 'General case' 0 C--N 1.38 1.916 0 O-C-N 124.063 0.852 . . . . 0.0 109.651 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.15 173.67 11.46 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 123.676 0.61 . . . . 0.0 109.397 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -48.66 121.7 10.12 Favored Pre-proline 0 CA--C 1.586 2.347 0 O-C-N 124.048 0.842 . . . . 0.0 110.224 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.1 -16.71 40.55 Favored 'Trans proline' 0 N--CA 1.529 3.599 0 C-N-CA 122.153 1.902 . . . . 0.0 112.504 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -90.27 -4.01 57.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.549 0.53 . . . . 0.0 111.321 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.86 154.18 40.71 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 p -98.01 168.08 10.5 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 124.448 1.092 . . . . 0.0 108.081 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.37 -43.83 96.19 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.024 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -57.99 -42.09 84.39 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.69 -45.31 68.59 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.26 0.552 . . . . 0.0 111.268 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.29 -46.85 81.81 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.341 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.37 -38.81 91.16 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.442 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.95 80.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 123.559 0.537 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.91 -44.27 63.95 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.893 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -93.89 4.21 54.25 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.32 -38.53 53.5 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -81.46 -10.78 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.717 0.407 . . . . 0.0 111.023 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.27 133.2 47.6 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.1 m -62.56 -34.77 77.63 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 123.288 0.635 . . . . 0.0 110.465 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -63.0 -28.78 70.34 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.746 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.15 -47.12 68.93 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 121.733 0.778 . . . . 0.0 109.791 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.36 -10.47 59.14 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.493 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -35.79 81.9 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.0 mm -84.96 123.31 39.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.29 -44.66 12.66 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.535 0.734 . . . . 0.0 110.077 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.95 113.84 16.25 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.645 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -38.99 93.15 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.39 -37.71 81.64 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.131 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.96 -34.56 78.26 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.897 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.69 -42.87 99.51 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.134 0.492 . . . . 0.0 109.835 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.19 -42.44 93.6 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.747 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.3 73.95 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 121.01 0.433 . . . . 0.0 110.21 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.14 -42.43 93.84 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.489 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.92 -48.36 82.02 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.994 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.89 -40.9 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.866 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -67.25 -43.49 81.76 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.13 -48.17 82.85 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.931 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.87 -45.8 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 123.863 0.727 . . . . 0.0 110.045 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.24 96.33 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.443 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.38 67.14 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.551 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.25 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.708 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.562 -179.148 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt 44.39 32.04 0.67 Allowed 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 120.96 0.409 . . . . 0.0 111.054 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -60.18 -39.32 86.06 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 123.174 0.59 . . . . 0.0 111.075 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.95 83.15 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.361 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.74 -42.79 90.53 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.26 -38.76 92.43 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.246 0.546 . . . . 0.0 109.558 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -68.82 -29.93 68.38 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.247 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.12 -52.89 44.28 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -62.26 -40.59 96.73 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 123.235 0.614 . . . . 0.0 110.469 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 -43.33 98.04 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.682 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.4 tpt -67.11 -46.17 75.0 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.551 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.0 mmm -63.31 -43.5 97.65 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.38 -42.6 68.2 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.408 0.623 . . . . 0.0 110.11 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.4 -38.91 68.31 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.489 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -79.15 17.15 0.82 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 17.9 tptm -24.28 118.01 0.05 OUTLIER 'General case' 0 C--N 1.385 2.135 0 O-C-N 123.939 0.775 . . . . 0.0 109.213 -174.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -134.72 173.21 11.94 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.348 1.03 . . . . 0.0 109.089 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -48.18 121.1 8.79 Favored Pre-proline 0 CA--C 1.609 3.24 0 O-C-N 123.692 0.62 . . . . 0.0 110.36 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.35 -16.42 39.27 Favored 'Trans proline' 0 N--CA 1.526 3.437 0 C-N-CA 122.573 2.182 . . . . 0.0 111.578 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -90.18 -5.01 56.9 Favored 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 123.186 0.595 . . . . 0.0 110.945 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.59 157.09 38.6 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -100.24 165.97 11.22 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.463 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.5 -45.87 64.81 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 120.967 0.413 . . . . 0.0 110.113 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -65.19 -43.64 90.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.097 0.475 . . . . 0.0 111.141 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.26 -38.54 90.63 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.918 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.56 81.5 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 122.722 0.409 . . . . 0.0 110.386 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.68 -42.32 70.88 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.198 0.599 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.67 0.75 50.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 122.707 0.403 . . . . 0.0 110.473 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.69 -35.57 55.73 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 122.325 0.25 . . . . 0.0 110.589 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -77.69 -12.72 60.0 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.593 0.558 . . . . 0.0 110.413 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.25 142.86 56.77 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -69.99 -18.49 63.33 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.85 -24.95 60.95 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.601 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.69 -52.23 47.05 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 121.123 0.487 . . . . 0.0 110.698 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -73.74 -16.67 61.17 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.798 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.99 79.2 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.133 0.573 . . . . 0.0 109.941 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.9 115.73 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -70.15 -41.45 73.83 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.09 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -85.45 107.46 17.42 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.263 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.56 73.91 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 123.653 0.781 . . . . 0.0 109.505 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.23 -38.38 86.45 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.686 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.04 -36.8 85.51 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -64.14 -41.23 97.27 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.25 -40.74 96.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.773 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.51 70.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.07 -40.55 96.5 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.522 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.09 -46.53 89.28 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.236 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.04 -40.55 78.51 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.012 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.26 -49.33 77.51 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.558 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.76 -45.28 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.74 93.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.72 60.39 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 122.972 0.509 . . . . 0.0 111.152 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.39 88.05 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.556 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.36 0.6 . . . . 0.0 110.312 179.573 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 44.43 28.01 0.27 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 121.221 0.534 . . . . 0.0 110.288 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.43 -39.34 90.43 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.691 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.54 93.85 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 123.922 0.764 . . . . 0.0 110.699 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.41 -43.39 90.71 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.037 0.535 . . . . 0.0 111.039 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.46 -42.84 95.71 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.06 -40.56 98.06 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.372 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -63.55 -50.49 69.31 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -62.11 -40.68 96.71 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-O 121.852 0.834 . . . . 0.0 110.878 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -57.83 -38.74 76.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.044 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 tpt -67.84 -43.33 79.78 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.637 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.3 mtp -61.05 -43.86 98.25 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.96 -37.71 75.88 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-O 121.209 0.528 . . . . 0.0 109.59 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -80.46 -20.6 43.4 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.634 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.82 6.18 45.39 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.2 tptp -24.19 117.47 0.05 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 O-C-N 124.19 0.931 . . . . 0.0 109.245 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -136.25 173.6 11.53 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.81 0.693 . . . . 0.0 109.385 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.53 HD21 ' H ' ' A' ' 22' ' ' ASN . 3.4 m-80 -45.63 120.27 4.91 Favored Pre-proline 0 CA--C 1.59 2.483 0 O-C-N 123.73 0.644 . . . . 0.0 110.552 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -17.73 42.03 Favored 'Trans proline' 0 N--CA 1.528 3.534 0 C-N-CA 122.254 1.969 . . . . 0.0 112.518 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -89.83 -5.06 57.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.652 0.595 . . . . 0.0 111.342 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 155.08 40.5 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 m -95.31 166.54 11.84 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -61.3 -43.29 99.12 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.98 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -58.49 -41.05 84.44 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.19 -45.23 70.44 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.253 0.549 . . . . 0.0 110.596 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.0 -45.81 84.03 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.358 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.69 -39.8 91.66 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.243 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.81 74.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 123.584 0.553 . . . . 0.0 109.84 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.62 -43.77 62.84 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.696 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -94.81 2.55 55.49 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 123.101 0.56 . . . . 0.0 110.544 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.49 -38.37 59.31 Favored 'General case' 0 N--CA 1.503 2.175 0 C-N-CA 122.846 0.458 . . . . 0.0 110.928 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.06 -13.53 59.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.66 141.48 58.76 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.97 -35.38 81.01 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.317 0.647 . . . . 0.0 111.396 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.55 -25.43 66.65 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.411 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.65 -51.54 40.92 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.969 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -75.3 -15.68 60.49 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.35 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.87 82.01 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.22 119.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.34 -44.91 61.94 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.353 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.31 124.24 27.87 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.429 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -82.97 -25.79 31.95 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -64.37 -39.07 93.15 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.92 -37.72 88.57 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.639 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -66.15 -41.44 90.42 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 121.164 0.507 . . . . 0.0 110.097 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.21 -42.68 96.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.213 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.8 83.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -63.03 -44.15 96.74 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.907 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.21 -47.92 83.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.149 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -61.62 -43.43 98.87 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.906 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.79 -38.52 76.7 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.715 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -61.07 -48.71 80.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -64.09 -45.62 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 123.528 0.518 . . . . 0.0 110.219 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.68 96.5 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.725 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.71 61.2 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.475 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.19 86.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.617 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.765 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 47.17 19.85 0.12 Allowed 'General case' 0 C--N 1.389 2.286 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.13 -48.78 78.61 Favored 'General case' 0 C--N 1.369 1.446 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.76 88.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.762 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.41 -41.69 93.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.891 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -65.91 -39.11 90.28 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.827 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -62.17 -38.62 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.074 0.859 . . . . 0.0 109.391 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.27 -50.18 72.73 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.511 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.24 -41.09 99.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.577 0.704 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.67 -39.95 82.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.019 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.54 -44.16 71.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -44.11 97.9 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.36 -37.47 77.64 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.133 0.492 . . . . 0.0 109.956 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.98 -20.54 41.66 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.348 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.24 9.37 28.88 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 19' ' ' ALA . 41.0 tptt -22.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.288 0 O-C-N 124.05 0.844 . . . . 0.0 109.431 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -135.39 173.7 11.43 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.527 1.142 . . . . 0.0 109.862 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -49.8 123.32 14.84 Favored Pre-proline 0 CA--C 1.597 2.774 0 O-C-N 123.865 0.728 . . . . 0.0 110.385 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.09 -16.68 40.57 Favored 'Trans proline' 0 N--CA 1.521 3.124 0 C-N-CA 122.347 2.031 . . . . 0.0 112.393 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -90.24 -4.2 57.34 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 123.674 0.609 . . . . 0.0 111.228 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.27 152.66 43.07 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.8 p -97.57 165.62 11.9 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.99 -44.05 97.98 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.043 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -59.2 -39.32 82.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.313 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -70.51 -45.98 64.55 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.124 0.488 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.49 -44.87 89.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.16 -39.3 92.75 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.354 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.22 79.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.361 0.413 . . . . 0.0 109.969 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.38 -43.35 67.05 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.86 3.61 54.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.439 0.462 . . . . 0.0 110.339 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.71 -35.77 56.24 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 122.574 0.349 . . . . 0.0 110.58 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -78.82 -11.98 60.01 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.45 139.81 57.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.53 -21.58 66.72 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.126 0.488 . . . . 0.0 111.857 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -70.34 -24.53 63.01 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.426 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -70.28 -52.39 23.29 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.434 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.89 -15.27 60.71 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.105 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.5 77.86 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.153 0.581 . . . . 0.0 109.57 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 mm -95.72 119.68 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -70.33 -41.56 73.07 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.098 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.92 108.31 20.68 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.746 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.56 -10.27 59.51 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -65.26 -40.93 94.61 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.205 0.526 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.11 -36.87 85.65 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -65.15 -41.74 94.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.79 -43.32 96.67 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.9 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.409 0.624 . . . . 0.0 110.484 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.56 -42.71 95.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.93 -47.59 85.17 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.754 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.45 -40.76 97.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -68.58 -41.03 80.24 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.313 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.47 -48.66 80.12 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.189 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.51 95.15 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.527 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.38 -41.72 66.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.554 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.98 93.71 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.825 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 N--CA 1.489 1.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.628 -179.314 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 43.88 32.35 0.6 Allowed 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 121.134 0.492 . . . . 0.0 111.066 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -64.37 -41.38 96.74 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.741 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -49.04 78.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.08 -42.35 89.5 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.328 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.69 -39.51 93.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.295 0.569 . . . . 0.0 109.506 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -63.52 -35.03 79.11 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.65 -50.27 69.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.33 -40.99 98.84 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.417 0.627 . . . . 0.0 110.64 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.04 -42.69 94.98 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.06 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.25 -46.13 71.31 Favored 'General case' 0 CA--C 1.568 1.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.77 -42.67 99.8 Favored 'General case' 0 N--CA 1.509 2.521 0 C-N-CA 123.309 0.644 . . . . 0.0 112.576 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.78 -38.72 76.78 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.67 -23.83 42.2 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.672 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.98 6.88 33.78 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.7 tptt -24.65 117.11 0.05 Allowed 'General case' 0 C--N 1.396 2.596 0 O-C-N 124.287 0.992 . . . . 0.0 109.256 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -134.85 173.22 11.95 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.951 0.782 . . . . 0.0 109.42 -176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.88 119.98 4.06 Favored Pre-proline 0 CA--C 1.6 2.886 0 O-C-N 123.766 0.666 . . . . 0.0 110.514 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.79 -17.61 42.06 Favored 'Trans proline' 0 N--CA 1.528 3.546 0 C-N-CA 122.353 2.035 . . . . 0.0 112.168 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -88.8 -6.61 57.26 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.564 0.54 . . . . 0.0 111.058 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 152.81 42.25 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -94.87 168.42 10.81 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.006 0.816 . . . . 0.0 108.86 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -60.59 -42.76 97.38 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.707 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.6 t -58.51 -42.25 87.26 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.471 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.58 -45.0 73.2 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.582 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -64.73 -45.01 88.33 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.131 0.491 . . . . 0.0 110.978 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.46 -38.22 89.19 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.368 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.33 79.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.262 0.351 . . . . 0.0 110.198 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.6 -42.59 70.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 122.701 0.4 . . . . 0.0 111.479 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -95.26 1.2 54.47 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 122.499 0.32 . . . . 0.0 110.585 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.13 -39.04 63.18 Favored 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 122.665 0.386 . . . . 0.0 110.549 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -77.18 -14.59 59.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.089 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.61 139.3 58.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.4 t -62.43 -22.06 65.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.087 0.47 . . . . 0.0 111.042 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -69.81 -25.79 63.94 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.08 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -68.09 -51.59 44.68 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 121.057 0.455 . . . . 0.0 111.104 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -76.46 -14.87 60.02 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.628 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.43 80.6 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.146 0.578 . . . . 0.0 109.901 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.12 117.17 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.65 -43.34 69.39 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.79 0.836 . . . . 0.0 110.569 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -91.87 107.33 19.13 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.502 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.4 mtt -72.41 -11.25 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.323 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.71 -41.33 92.41 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -34.65 78.74 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -65.15 -42.55 93.65 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.48 -44.5 86.9 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.55 77.08 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.224 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.01 -42.3 99.8 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.763 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -58.17 -46.68 85.32 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.07 -41.54 98.27 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.09 -40.26 78.52 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.55 -49.04 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.662 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.7 t -64.32 -45.2 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.61 95.36 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.03 62.4 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.681 0.393 . . . . 0.0 111.325 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.67 91.47 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.709 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.6 mt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 44.85 26.07 0.18 Allowed 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.337 0.589 . . . . 0.0 110.054 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -59.93 -41.83 92.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.424 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.39 98.95 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.091 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -65.38 -44.73 86.62 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.289 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -66.0 -41.09 91.5 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.446 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.1 -39.21 91.7 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.2 -48.76 76.94 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.125 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.21 -42.56 99.41 Favored 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.374 0.607 . . . . 0.0 111.619 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.07 -39.3 85.56 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.339 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.68 -44.51 90.09 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.0 mtp -63.99 -43.17 96.53 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -68.45 -32.46 72.49 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.7 -19.32 26.29 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 123.174 0.59 . . . . 0.0 111.065 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -93.17 10.39 31.95 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.36 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ALA . 53.0 mtmt -26.29 119.79 0.08 Allowed 'General case' 0 C--N 1.416 3.493 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -173.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -133.73 172.56 12.6 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.45 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -47.18 120.89 7.01 Favored Pre-proline 0 CA--C 1.605 3.079 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.561 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.25 -17.03 44.86 Favored 'Trans proline' 0 N--CA 1.53 3.661 0 C-N-CA 122.372 2.048 . . . . 0.0 112.243 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -89.62 -5.37 57.21 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.5 0.5 . . . . 0.0 111.028 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 151.86 43.64 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -96.46 169.24 10.05 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.058 0.849 . . . . 0.0 108.907 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.46 -44.1 93.05 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.531 0.732 . . . . 0.0 110.597 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -58.05 -43.27 86.78 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.675 0.39 . . . . 0.0 111.076 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.55 -45.42 68.79 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.01 -45.68 84.53 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.211 0.529 . . . . 0.0 111.103 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.25 -39.93 89.83 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.86 73.49 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -73.45 -43.69 59.77 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.99 1.64 55.23 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 122.54 0.336 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.91 -36.82 50.22 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 122.866 0.466 . . . . 0.0 110.225 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -81.12 -12.08 59.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.433 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.93 140.12 58.31 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -65.06 -33.49 76.15 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.49 0.662 . . . . 0.0 111.249 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 -25.21 63.44 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.996 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -69.17 -51.96 32.89 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 120.924 0.392 . . . . 0.0 110.731 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -72.69 -14.64 61.62 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.655 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.15 79.03 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.308 0.643 . . . . 0.0 109.469 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.2 mt -79.92 123.72 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.97 -44.17 18.57 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.413 0.685 . . . . 0.0 109.538 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.2 108.91 9.45 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.859 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.4 ttp -64.94 -36.85 85.7 Favored 'General case' 0 CA--C 1.57 1.741 0 CA-C-O 121.386 0.613 . . . . 0.0 110.181 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.26 -37.31 82.64 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.921 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -35.29 80.59 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -43.68 98.44 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.368 1.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.533 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.73 74.78 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.837 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.31 -41.99 96.57 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.764 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.6 -47.89 84.2 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.177 0.513 . . . . 0.0 110.078 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.15 -41.3 99.24 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.783 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.31 -42.29 79.61 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.78 -48.18 81.81 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.503 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -44.79 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.54 93.54 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.783 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.14 57.41 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.73 87.97 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 122.582 0.353 . . . . 0.0 110.4 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.516 0.674 . . . . 0.0 110.524 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.245 0.826 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 81.4 mtp 38.16 25.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.033 0.533 . . . . 0.0 111.947 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.209 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.49 95.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.118 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -65.4 -43.07 91.76 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.652 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -65.61 -39.19 91.26 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.09 -37.91 89.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.353 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.91 -48.24 81.35 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.857 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.02 -41.61 99.59 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 121.616 0.722 . . . . 0.0 111.024 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.81 -39.06 87.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.0 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 tpt -69.96 -43.79 70.81 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.32 -41.37 96.85 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.09 -42.93 83.79 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.03 0.443 . . . . 0.0 111.595 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.45 -16.78 53.58 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.042 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.66 4.92 47.98 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.917 0.487 . . . . 0.0 109.711 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.0 tptp -23.91 118.44 0.04 OUTLIER 'General case' 0 C--N 1.376 1.745 0 O-C-N 124.354 1.034 . . . . 0.0 109.568 -173.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.54 173.27 11.9 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 123.819 0.699 . . . . 0.0 109.345 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.81 119.84 3.97 Favored Pre-proline 0 CA--C 1.582 2.205 0 O-C-N 124.016 0.823 . . . . 0.0 110.319 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -69.12 -17.4 40.48 Favored 'Trans proline' 0 N--CA 1.52 3.044 0 C-N-CA 122.171 1.914 . . . . 0.0 112.541 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.36 -5.78 57.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.733 0.645 . . . . 0.0 111.376 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 150.67 44.02 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -93.66 169.28 10.45 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.78 -42.64 97.94 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.754 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -58.38 -42.2 86.53 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.545 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -69.01 -44.86 71.92 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.982 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.68 -46.44 82.4 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.047 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.06 -39.64 93.57 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.199 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.33 79.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.618 0.574 . . . . 0.0 109.948 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.35 -44.11 65.69 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.839 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.94 3.19 55.24 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 123.587 0.555 . . . . 0.0 110.279 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.48 -36.83 55.88 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 120.77 0.319 . . . . 0.0 110.686 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.51 -13.31 60.1 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.076 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.7 140.65 58.89 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -68.08 -27.82 66.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.029 0.443 . . . . 0.0 111.396 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -70.65 -23.0 62.44 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.7 -53.07 24.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.079 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -74.68 -15.36 60.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.938 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.89 85.42 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.72 121.75 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -73.79 -45.34 52.15 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 123.523 0.729 . . . . 0.0 111.549 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.92 107.44 12.7 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.554 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.421 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 48.9 ttp -67.69 -35.33 78.63 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.123 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -59.27 -37.04 76.64 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.866 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.46 -39.01 93.33 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.631 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.2 mtm180 -64.53 -39.45 93.79 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.281 0.562 . . . . 0.0 110.823 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.62 -41.53 98.27 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.789 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.61 86.83 Favored 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.215 0.531 . . . . 0.0 110.057 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.12 -42.27 96.91 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.736 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.83 -48.06 82.65 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.926 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.7 -41.44 99.12 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.211 0.529 . . . . 0.0 110.024 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.88 -41.12 78.75 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.25 -48.29 82.11 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.582 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.21 -45.31 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.46 95.44 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.567 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.77 64.58 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.381 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.63 87.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.762 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.482 1.148 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.445 -179.065 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 mmt 44.02 31.48 0.53 Allowed 'General case' 0 N--CA 1.508 2.434 0 CA-C-O 120.938 0.399 . . . . 0.0 111.244 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.13 -41.56 96.95 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.966 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.51 73.81 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.494 0.317 . . . . 0.0 110.818 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -65.37 -41.65 93.57 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.715 0.406 . . . . 0.0 111.011 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.02 -43.52 95.37 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -63.2 -39.23 94.06 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.942 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -64.13 -50.62 67.52 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.36 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.19 -43.25 98.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.132 0.492 . . . . 0.0 110.512 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.61 -43.39 97.51 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.196 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.1 tpt -66.39 -43.31 86.21 Favored 'General case' 0 CA--C 1.576 1.974 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.975 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.2 mmm -65.17 -41.97 94.13 Favored 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -68.45 -39.25 81.52 Favored 'General case' 0 N--CA 1.512 2.641 0 O-C-N 122.203 -0.311 . . . . 0.0 111.085 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -16.07 41.01 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.175 0.59 . . . . 0.0 111.399 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.31 15.46 10.47 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.5 mmtt -23.66 116.08 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.232 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -175.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -132.88 169.95 16.03 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.681 1.238 . . . . 0.0 108.363 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -50.61 121.52 14.66 Favored Pre-proline 0 CA--C 1.604 3.048 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.346 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.09 -16.7 45.17 Favored 'Trans proline' 0 N--CA 1.532 3.762 0 C-N-CA 122.332 2.021 . . . . 0.0 112.143 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.12 -6.41 55.44 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 123.705 0.628 . . . . 0.0 111.196 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 156.12 39.86 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 m -97.27 164.99 12.25 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -60.59 -42.75 97.35 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.465 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.7 t -58.65 -41.74 86.77 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.839 0.456 . . . . 0.0 110.783 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.75 -43.78 79.1 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 120.945 0.403 . . . . 0.0 110.087 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.43 -45.1 85.2 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 121.211 0.529 . . . . 0.0 110.951 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.88 -38.65 89.35 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.735 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.36 84.75 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.033 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -71.03 -43.38 68.02 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.022 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -92.81 3.95 54.72 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 122.462 0.305 . . . . 0.0 110.897 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -40.64 61.95 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 122.586 0.355 . . . . 0.0 110.677 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -79.38 0.22 30.05 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.785 0.434 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -82.72 124.93 30.69 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.9 p -57.45 -27.93 62.89 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.718 0.407 . . . . 0.0 110.499 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -64.95 -28.2 69.36 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 44.2 t80 -68.43 -45.13 73.38 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.433 0.635 . . . . 0.0 110.012 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.61 -11.42 60.64 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.513 -1.222 . . . . 0.0 111.158 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.1 90.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.024 0.53 . . . . 0.0 110.487 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 mp -85.36 129.09 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -87.31 -44.01 11.73 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.356 0.598 . . . . 0.0 109.514 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.4 141.83 41.3 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.139 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -103.07 -26.38 13.07 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 123.803 0.841 . . . . 0.0 110.239 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.3 -35.24 80.41 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' NH1' ' CE2' ' A' ' 40' ' ' PHE . 78.3 mtt180 -64.49 -44.9 89.51 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.53 -43.93 88.46 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.612 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.77 75.04 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.081 0.467 . . . . 0.0 110.334 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.0 -42.67 97.09 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.52 -46.72 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.959 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.07 -41.42 98.15 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.259 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.98 -40.19 83.17 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.88 -48.09 82.08 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.821 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.71 -44.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.14 93.29 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.61 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.93 -41.58 61.86 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.852 0.461 . . . . 0.0 111.534 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.18 90.23 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.907 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.74 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.243 0.754 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.8 mtt 46.32 21.52 0.12 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.704 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.83 -45.22 93.61 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.882 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.22 87.04 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.13 -43.39 95.39 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.312 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.79 -43.24 93.84 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.649 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.43 94.81 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.124 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -64.28 -49.7 70.82 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.822 0.82 . . . . 0.0 110.276 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.24 -44.07 97.4 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.926 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.32 -36.5 75.76 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.639 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 tpt -70.85 -43.17 69.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.1 mmm -61.64 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.411 -176.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.62 -35.72 75.52 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.114 0.483 . . . . 0.0 110.638 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.8 -17.92 45.89 Favored 'General case' 0 C--N 1.367 1.351 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.379 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.54 5.91 50.32 Favored 'General case' 0 CA--C 1.491 -1.322 0 O-C-N 124.651 1.219 . . . . 0.0 109.538 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 19' ' ' ALA . 36.9 ttpt -25.82 120.45 0.07 Allowed 'General case' 0 C--N 1.362 1.141 0 O-C-N 124.189 0.931 . . . . 0.0 110.743 -175.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -135.85 172.69 12.64 Favored 'General case' 0 CA--C 1.481 -1.688 0 O-C-N 124.538 1.149 . . . . 0.0 109.77 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.515 HD21 ' H ' ' A' ' 22' ' ' ASN . 4.9 m-80 -43.38 108.59 0.69 Allowed Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 125.113 1.508 . . . . 0.0 109.05 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.44 -31.9 92.55 Favored 'Trans proline' 0 N--CA 1.532 3.79 0 C-N-CA 122.584 2.189 . . . . 0.0 113.3 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -74.31 -5.16 40.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.358 1.036 . . . . 0.0 111.803 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 160.15 30.25 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.0 p -98.84 166.99 11.04 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 124.533 1.146 . . . . 0.0 108.714 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.96 -44.51 97.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.489 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -56.08 -41.0 74.44 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.262 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.31 -44.47 71.69 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.56 0.695 . . . . 0.0 110.969 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.52 -46.33 83.4 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.09 -39.52 94.23 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.23 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.93 77.99 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 123.459 0.474 . . . . 0.0 110.382 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -72.71 -41.82 64.83 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 123.585 0.553 . . . . 0.0 111.833 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.12 2.72 53.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 124.337 1.023 . . . . 0.0 110.03 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.71 -37.6 51.57 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.522 0.329 . . . . 0.0 110.178 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.15 -10.4 59.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.44 141.82 57.79 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -67.01 -30.78 70.98 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.329 0.585 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -68.94 -21.49 64.19 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.177 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.53 -52.32 18.87 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 124.14 0.9 . . . . 0.0 110.949 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.72 -12.94 60.06 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.752 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -35.99 82.1 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.33 123.05 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -71.91 -45.97 59.32 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.203 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.68 135.07 36.45 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.254 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -97.35 -23.48 16.09 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -63.4 -40.2 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 122.625 0.37 . . . . 0.0 111.409 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.61 -38.49 90.4 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.142 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -65.95 -40.42 91.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.357 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.03 -42.4 94.39 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.284 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.01 91.32 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.522 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -58.21 -47.42 83.55 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.431 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.92 -42.11 98.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.915 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.5 -39.4 77.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.422 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.32 -48.0 83.37 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.38 -45.75 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.977 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.63 94.79 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.16 -42.66 59.58 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.568 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.91 89.96 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.352 0.703 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.737 -178.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.1 mt . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 46.76 27.92 0.74 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -62.67 -40.87 98.43 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.398 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.24 81.95 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.838 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.17 -41.16 94.9 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.962 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.4 -43.43 94.44 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.539 0.685 . . . . 0.0 109.792 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.75 -38.46 91.17 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.819 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -62.86 -49.68 73.9 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.9 -41.77 99.55 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-O 121.56 0.695 . . . . 0.0 111.019 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.35 -41.25 88.75 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.513 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.9 ttp -68.1 -44.68 75.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.738 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mmm -62.16 -43.52 98.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.25 -37.7 78.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.306 0.574 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.01 -20.94 44.22 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.303 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.63 12.47 18.84 Favored 'General case' 0 CA--C 1.496 -1.125 0 O-C-N 123.837 0.711 . . . . 0.0 109.772 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 19' ' ' ALA . 5.3 tppt? -23.07 118.26 0.04 OUTLIER 'General case' 0 C--N 1.372 1.586 0 O-C-N 124.129 0.893 . . . . 0.0 110.492 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.62 173.94 11.16 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.266 0.978 . . . . 0.0 109.342 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.461 HD21 ' H ' ' A' ' 22' ' ' ASN . 4.6 m-80 -49.05 121.92 11.07 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 124.999 1.437 . . . . 0.0 110.109 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -69.04 -16.56 40.71 Favored 'Trans proline' 0 N--CA 1.528 3.538 0 C-N-CA 122.251 1.967 . . . . 0.0 112.736 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -91.06 -2.21 57.67 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.931 0.77 . . . . 0.0 111.777 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.26 155.93 37.75 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -99.47 167.61 10.51 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.518 1.136 . . . . 0.0 108.105 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.74 -44.63 96.44 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.237 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 m -56.42 -40.65 75.06 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.79 -45.66 64.29 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.303 0.573 . . . . 0.0 111.434 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.68 -46.61 81.69 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.383 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.56 -39.38 91.63 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.668 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -37.59 74.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.871 0.732 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.47 -41.77 60.18 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.075 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -95.13 1.11 54.79 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.376 0.671 . . . . 0.0 110.161 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.49 -37.81 50.93 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.73 -11.68 59.83 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.928 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -70.97 142.05 51.02 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -69.7 -33.84 73.08 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.926 0.766 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.04 -29.63 70.97 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.024 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -68.0 -48.08 66.74 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.482 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -69.12 -10.65 58.69 Favored 'General case' 0 N--CA 1.504 2.256 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.11 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.65 88.15 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.227 0.955 . . . . 0.0 109.704 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.5 mt -83.53 128.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.55 -45.17 11.33 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -77.87 115.33 17.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.189 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -65.9 -35.18 79.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.893 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -61.26 -38.15 85.67 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.997 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.11 -34.78 79.23 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.423 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.17 -43.98 96.73 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.449 0.642 . . . . 0.0 109.469 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -65.44 -43.57 90.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.726 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.61 78.02 Favored 'General case' 0 C--N 1.362 1.151 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.21 -43.11 99.06 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.69 -46.97 87.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.141 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.12 -42.16 98.95 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.046 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.56 -39.63 77.27 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.621 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.09 -48.01 83.69 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.485 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.15 -45.84 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.351 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.43 95.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.57 -41.88 65.24 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 123.694 0.621 . . . . 0.0 111.334 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.55 89.99 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.502 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 . . . . . 0 C--N 1.361 1.099 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.545 -178.834 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 58.1 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.792 0.33 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtm 40.37 34.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.31 -38.17 87.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.579 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.99 99.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.18 -40.89 94.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.73 -38.58 86.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -63.49 -40.37 96.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.83 -48.33 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.41 -41.4 98.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.69 -33.99 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 tpt -75.26 -38.53 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.525 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 mmm -67.01 -44.58 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.01 -35.37 76.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -7.52 56.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.612 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.594 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -99.16 16.27 23.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 19' ' ' ALA . 26.7 mmtp -21.47 117.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -135.74 172.8 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.436 HD21 ' H ' ' A' ' 22' ' ' ASN . 3.9 m-80 -49.62 122.34 13.11 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.85 -16.88 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.748 2.299 . . . . 0.0 112.158 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.43 0.03 57.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 158.79 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.2 p -101.78 168.24 9.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.606 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.62 -42.07 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -56.7 -41.18 76.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.3 -42.54 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.41 -43.5 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.39 -38.08 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.99 68.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.46 -37.15 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.35 0.88 46.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.89 -39.72 59.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -80.38 11.97 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.47 140.62 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 m -69.4 -23.01 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -72.44 -17.65 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.48 -50.27 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -73.17 -4.93 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mt -97.82 118.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.546 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.47 -42.59 87.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.51 137.82 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.6 mtt -100.74 -12.96 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.08 -38.51 91.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -66.36 -35.86 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.62 -41.1 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.79 -40.48 95.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.98 83.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.89 -41.46 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.8 -41.39 97.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.61 -36.98 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.94 -48.39 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.11 -44.21 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.42 89.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.486 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.36 89.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -178.853 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 39.31 37.12 0.24 Allowed 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.388 0.613 . . . . 0.0 111.232 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.11 -36.49 77.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.035 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.7 79.13 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.907 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.62 -43.69 92.94 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.359 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.46 -42.92 91.79 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.243 0.544 . . . . 0.0 110.104 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.02 -38.37 90.83 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.058 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CA ' HH21 ' A' ' 39' ' ' ARG . 67.5 t80 -65.0 -49.75 69.01 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.072 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.74 -42.77 99.4 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.645 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.19 -40.63 82.02 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 113.701 -1.591 . . . . 0.0 109.045 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.23 -42.51 79.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.729 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -42.87 99.24 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.65 -38.39 77.1 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.253 0.549 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.5 -20.48 47.16 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.23 10.14 23.2 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 21.9 tptp -22.99 117.49 0.04 OUTLIER 'General case' 0 C--N 1.382 1.989 0 O-C-N 124.018 0.824 . . . . 0.0 109.457 -173.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -135.32 173.61 11.53 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.024 0.827 . . . . 0.0 109.611 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.551 HD21 ' H ' ' A' ' 22' ' ' ASN . 2.9 m-80 -49.61 121.26 11.81 Favored Pre-proline 0 CA--C 1.591 2.555 0 O-C-N 123.899 0.749 . . . . 0.0 110.033 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.78 -17.14 42.24 Favored 'Trans proline' 0 N--CA 1.522 3.151 0 C-N-CA 122.261 1.974 . . . . 0.0 112.139 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.46 -2.74 57.94 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.8 0.44 . . . . 0.0 111.348 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.04 157.44 36.11 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -101.43 166.78 10.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.86 -43.43 98.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.008 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -57.78 -42.85 84.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.744 0.418 . . . . 0.0 110.81 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.56 -44.89 69.96 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.112 0.482 . . . . 0.0 110.732 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -64.67 -44.69 89.55 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 121.116 0.484 . . . . 0.0 111.309 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.8 -39.09 93.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.039 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.39 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.909 0.484 . . . . 0.0 110.465 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -71.24 -42.08 69.31 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.759 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.55 2.07 54.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 123.445 0.466 . . . . 0.0 109.985 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.08 -38.07 62.23 Favored 'General case' 0 N--CA 1.505 2.32 0 C-N-CA 122.455 0.302 . . . . 0.0 110.685 -176.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.69 -13.44 60.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.14 141.17 58.86 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 m -65.56 -26.62 67.96 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.905 0.482 . . . . 0.0 110.287 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.424 HH21 ' CA ' ' A' ' 12' ' ' PHE . 66.7 mtp85 -70.32 -24.05 62.94 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.532 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -67.67 -52.31 39.53 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -74.85 -16.18 60.69 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.46 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.71 -34.92 78.94 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -93.0 119.65 41.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.44 -42.36 75.07 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.125 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.17 108.71 21.47 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.6 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.43 -9.81 58.77 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.569 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.2 -40.86 94.78 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.325 0.583 . . . . 0.0 110.273 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.75 -37.04 86.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -64.31 -40.18 95.41 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.39 0.614 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.03 -42.25 99.72 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.653 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.75 76.5 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.83 -41.97 95.32 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.457 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.32 -48.04 83.12 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.691 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.81 -41.13 99.16 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.813 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.24 -41.85 80.56 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.038 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.22 -48.56 80.95 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.89 -45.52 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.028 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.64 95.73 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.605 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.57 66.37 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.39 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.7 92.07 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.583 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 N--CA 1.483 1.177 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.567 -179.549 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.9 mmm 46.66 23.27 0.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.794 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.21 -44.1 95.43 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.224 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.09 79.09 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.885 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.41 -40.11 92.96 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.951 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.3 -40.04 96.25 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -69.29 -32.5 71.7 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.809 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' HA ' HH22 ' A' ' 39' ' ' ARG . 52.2 t80 -64.41 -54.66 29.19 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.144 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -64.69 -38.83 92.35 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.464 0.65 . . . . 0.0 110.779 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.08 -43.8 98.34 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.835 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -68.84 -45.58 70.77 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.702 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mmm -63.02 -42.6 99.83 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.45 -38.41 77.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.43 -23.15 40.5 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.747 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -88.76 12.78 14.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.7 tppt? -23.11 117.59 0.04 OUTLIER 'General case' 0 C--N 1.386 2.192 0 O-C-N 123.859 0.724 . . . . 0.0 109.59 -174.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.65 172.8 12.44 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.305 1.003 . . . . 0.0 109.374 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -49.02 121.92 11.0 Favored Pre-proline 0 CA--C 1.605 3.058 0 O-C-N 123.823 0.702 . . . . 0.0 110.358 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.19 -18.81 39.53 Favored 'Trans proline' 0 N--CA 1.526 3.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.42 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -88.05 -4.45 58.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 123.771 0.669 . . . . 0.0 111.395 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 153.37 42.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -96.5 164.53 12.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.18 -44.24 97.6 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.761 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 29' ' ' GLU . 81.2 p -59.44 -38.02 79.61 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.24 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' N ' ' HG ' ' A' ' 28' ' ' SER . 83.7 tt0 -71.29 -45.51 62.93 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 121.043 0.449 . . . . 0.0 109.949 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.66 -44.73 89.47 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.212 0.529 . . . . 0.0 110.994 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.07 -39.36 93.14 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.318 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.93 76.2 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -70.84 -43.31 68.79 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -96.31 2.72 53.06 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 123.13 0.268 . . . . 0.0 110.95 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.19 -36.6 61.13 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.631 0.372 . . . . 0.0 110.609 -177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 -13.27 59.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.419 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.5 139.61 53.88 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -63.07 -21.36 66.12 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.03 0.443 . . . . 0.0 110.857 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.411 HH22 ' HA ' ' A' ' 12' ' ' PHE . 29.0 mtp85 -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.773 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.54 -45.32 72.5 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.323 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -78.44 -14.96 59.14 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.2 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -36.5 81.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.081 0.552 . . . . 0.0 109.777 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -96.32 118.12 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -70.1 -42.1 73.14 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.56 106.44 18.41 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.53 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 mtm -70.64 -11.97 61.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.987 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.95 -41.28 95.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.453 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.18 -36.71 85.06 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.146 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -65.67 -41.94 91.89 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.5 -43.41 94.21 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.615 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.43 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.103 0.478 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.32 -41.46 98.91 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.883 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.59 -46.04 90.13 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.859 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.44 -41.46 98.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.917 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.08 -39.81 78.82 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.7 -48.61 79.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.428 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.33 -44.77 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.66 92.85 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.72 59.91 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.194 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.62 86.97 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 C--N 1.364 1.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.573 1.85 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 70.5 mtm 39.13 38.24 0.3 Allowed 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.157 0.503 . . . . 0.0 110.573 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.62 -37.85 85.46 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.148 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.78 94.22 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.526 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -65.48 -43.46 90.2 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -39.32 90.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.72 -38.74 92.24 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.61 -48.91 77.35 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.201 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.18 -41.59 99.23 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.244 0.545 . . . . 0.0 110.865 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.28 -42.02 90.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.948 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.2 tpt -67.15 -43.87 81.21 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mmm -63.0 -42.93 99.98 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 123.402 0.681 . . . . 0.0 112.127 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.13 -29.37 66.28 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.64 -19.01 23.14 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.273 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.76 6.53 45.62 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.306 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ALA . 14.9 mmmt -23.54 116.16 0.04 OUTLIER 'General case' 0 C--N 1.393 2.481 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 -175.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.71 172.86 12.36 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.925 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.466 HD21 ' H ' ' A' ' 22' ' ' ASN . 4.6 m-80 -45.72 119.67 4.75 Favored Pre-proline 0 CA--C 1.6 2.877 0 O-C-N 123.751 0.657 . . . . 0.0 110.238 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.88 -16.84 41.66 Favored 'Trans proline' 0 N--CA 1.524 3.298 0 C-N-CA 122.572 2.181 . . . . 0.0 112.053 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -89.58 -4.86 57.66 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 123.725 0.64 . . . . 0.0 111.224 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.54 151.92 42.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -93.09 169.17 10.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.05 -44.08 97.93 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 123.644 0.59 . . . . 0.0 110.997 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -58.29 -37.56 75.28 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.65 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -72.2 -44.95 62.21 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 122.299 0.239 . . . . 0.0 110.874 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.61 -46.02 80.91 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-O 121.133 0.492 . . . . 0.0 110.896 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.45 -40.42 93.22 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.537 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.11 81.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.67 -44.15 64.79 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.676 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -94.76 1.66 55.46 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.727 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.72 -35.68 44.01 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 122.777 0.431 . . . . 0.0 110.563 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.77 -11.92 60.0 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.544 0.527 . . . . 0.0 110.784 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.03 142.73 55.8 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -66.79 -33.03 74.73 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.198 0.599 . . . . 0.0 111.534 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -66.29 -25.47 66.87 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.77 -52.13 33.7 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.433 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -76.14 -15.31 60.1 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.26 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.16 82.93 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.014 0.526 . . . . 0.0 109.687 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.7 mt -86.08 119.22 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.71 -44.29 64.43 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.162 0.506 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -80.65 106.46 12.68 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.5 ptm -66.49 -26.57 67.24 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.568 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.82 -39.3 93.89 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.9 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.22 -37.53 87.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -65.91 -41.06 91.94 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.0 -42.86 94.09 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.05 87.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.49 -42.44 98.53 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.717 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.43 -48.26 82.32 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.332 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.62 -41.8 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.646 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.4 -40.21 77.5 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.94 -48.71 79.21 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.17 -44.91 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.104 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.19 94.61 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.76 58.73 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.29 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.83 82.65 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.339 0.59 . . . . 0.0 110.632 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt 49.06 20.93 0.43 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.196 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.77 -46.22 89.86 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.65 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.94 99.15 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -65.9 -43.31 88.59 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.179 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -66.6 -40.3 88.81 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.95 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -62.62 -38.65 91.07 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.49 -46.97 86.04 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.174 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.4 -43.01 99.84 Favored 'General case' 0 N--CA 1.506 2.327 0 C-N-CA 123.186 0.594 . . . . 0.0 111.216 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.01 -40.0 91.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.643 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.2 tpt -68.64 -45.9 70.6 Favored 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.94 -43.36 99.0 Favored 'General case' 0 N--CA 1.512 2.66 0 C-N-CA 123.435 0.694 . . . . 0.0 112.6 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -37.62 74.99 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -80.44 -21.89 41.69 Favored 'General case' 0 N--CA 1.507 2.378 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.69 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.1 7.71 33.64 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.0 tppp? -23.58 117.83 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 123.967 0.792 . . . . 0.0 109.556 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.28 173.2 11.98 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.172 0.92 . . . . 0.0 109.45 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -45.96 120.43 5.34 Favored Pre-proline 0 CA--C 1.597 2.788 0 O-C-N 123.766 0.667 . . . . 0.0 110.159 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.26 -17.03 40.02 Favored 'Trans proline' 0 N--CA 1.52 3.037 0 C-N-CA 122.567 2.178 . . . . 0.0 112.04 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -88.64 -6.31 57.59 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 123.502 0.501 . . . . 0.0 111.119 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 151.32 45.11 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -94.38 169.72 10.01 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.07 -43.39 98.96 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.889 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.09 -38.96 77.39 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.499 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.61 -44.38 64.53 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.27 -45.54 84.07 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.97 -39.79 90.69 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.219 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.64 79.92 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.19 -43.44 64.5 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.244 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -94.54 2.58 55.67 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 123.118 0.261 . . . . 0.0 110.881 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.97 -38.7 57.54 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.608 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -78.04 -13.34 59.91 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.51 0.506 . . . . 0.0 110.656 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.46 140.74 58.9 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.38 -33.86 76.83 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.822 0.449 . . . . 0.0 111.142 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -68.67 -23.37 64.4 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.19 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 72.6 t80 -70.82 -53.07 16.68 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.23 -16.46 61.41 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.792 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.5 75.19 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.026 0.53 . . . . 0.0 109.983 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 mm -91.47 118.88 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -69.26 -43.14 74.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.832 0.853 . . . . 0.0 110.592 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -84.32 134.67 34.5 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.411 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 15.0 ptt? -94.19 -24.76 17.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.996 0.919 . . . . 0.0 109.333 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -63.99 -40.08 95.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.191 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' O ' HD23 ' A' ' 52' ' ' LEU . 37.2 t70 -64.42 -39.54 94.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 40' ' ' PHE . 86.5 mtm180 -65.5 -38.93 91.14 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.453 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.02 -41.84 97.32 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.86 83.73 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 120.986 0.422 . . . . 0.0 110.553 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 48' ' ' ASP . 4.5 mm? -64.56 -41.4 96.33 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.038 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.2 -47.65 84.52 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.692 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.24 -41.64 98.6 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.88 -40.74 79.05 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.54 -48.57 80.44 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.723 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.13 -45.26 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.88 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.85 63.44 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.912 0.485 . . . . 0.0 111.412 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.95 90.42 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.662 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 CA--C 1.563 1.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.493 -179.378 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.6 mpt? 39.84 34.4 0.17 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.108 0.48 . . . . 0.0 110.544 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.63 -38.51 90.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.188 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.52 94.93 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.257 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.82 -42.45 90.58 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.45 -35.22 79.72 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.481 0.657 . . . . 0.0 110.24 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -70.82 -35.44 72.5 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.203 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.71 -52.66 59.53 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.183 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -61.83 -39.32 91.4 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 122.133 0.968 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.94 -40.34 92.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.505 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.35 -43.86 69.33 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.52 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mmm -62.91 -42.69 99.88 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.4 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.49 -36.39 76.48 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.555 0.693 . . . . 0.0 109.98 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.1 -21.05 36.96 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.11 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.51 11.16 24.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 18.1 tptm -23.57 118.16 0.04 OUTLIER 'General case' 0 C--N 1.364 1.211 0 O-C-N 124.062 0.851 . . . . 0.0 109.502 -174.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -135.51 173.71 11.42 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -46.41 116.78 3.86 Favored Pre-proline 0 CA--C 1.575 1.939 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.298 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.68 -18.53 37.33 Favored 'Trans proline' 0 N--CA 1.508 2.382 0 C-N-CA 122.501 2.134 . . . . 0.0 112.381 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -88.67 -4.53 58.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.404 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.34 152.89 41.79 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -90.96 163.3 14.4 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.24 -45.35 94.91 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 29' ' ' GLU . 76.3 p -60.2 -36.88 78.64 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 -178.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' HG ' ' A' ' 28' ' ' SER . 82.2 tt0 -71.34 -46.57 60.23 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.108 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.72 -45.14 83.84 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.257 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -62.56 -41.77 99.12 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.058 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.17 79.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.197 0.522 . . . . 0.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -70.96 -44.24 66.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.809 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.05 3.79 49.31 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.725 0.41 . . . . 0.0 110.215 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.21 -34.09 43.97 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.396 0.435 . . . . 0.0 110.081 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.46 -11.69 59.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.646 0.591 . . . . 0.0 110.869 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.68 140.7 55.44 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.34 -32.97 74.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.122 0.569 . . . . 0.0 110.592 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.24 -24.75 68.01 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.68 -47.01 64.75 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 121.692 0.758 . . . . 0.0 109.849 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -76.64 -12.21 59.97 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.588 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.66 87.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.41 117.87 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.14 -42.92 75.35 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.003 0.814 . . . . 0.0 110.945 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.39 133.56 35.91 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.833 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -94.51 -22.01 18.51 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -39.54 94.05 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.269 0.556 . . . . 0.0 110.802 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.7 -35.8 82.23 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.789 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.2 -41.56 94.4 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.72 -42.76 97.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.23 81.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.248 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.54 -43.4 97.21 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.078 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.73 -47.72 83.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.053 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.8 -41.52 97.86 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.875 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -69.87 -39.66 76.19 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.032 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.47 -48.84 79.28 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.403 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -64.2 -45.26 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.152 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.16 93.39 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.743 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.17 57.44 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.504 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt 46.78 23.06 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.689 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.06 -44.81 91.88 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.141 -177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.34 74.21 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.43 -40.84 93.78 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.997 0.519 . . . . 0.0 111.286 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.37 -39.69 94.37 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.54 62.33 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.586 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -69.52 -54.76 12.62 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -61.02 -44.16 97.82 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.572 0.701 . . . . 0.0 110.458 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.23 -42.13 94.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.88 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.88 -44.31 97.27 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 123.709 0.63 . . . . 0.0 109.588 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.9 mmm -61.95 -39.59 92.64 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 122.907 0.483 . . . . 0.0 112.059 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.32 -53.68 40.24 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.968 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.41 -19.45 61.59 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.499 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.08 6.1 34.32 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.3 tptp -23.71 117.11 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 124.214 0.946 . . . . 0.0 109.167 -174.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -134.82 172.72 12.58 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.021 0.826 . . . . 0.0 109.338 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -47.16 120.89 6.98 Favored Pre-proline 0 CA--C 1.606 3.105 0 O-C-N 123.67 0.606 . . . . 0.0 110.356 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.88 -19.04 40.98 Favored 'Trans proline' 0 N--CA 1.535 3.963 0 C-N-CA 122.602 2.201 . . . . 0.0 112.705 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -88.69 -4.89 58.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 123.912 0.757 . . . . 0.0 111.387 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.51 154.75 41.55 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 m -97.91 164.85 12.2 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -60.58 -44.17 96.5 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.794 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -58.97 -41.13 86.81 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -70.06 -46.55 64.72 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.002 0.429 . . . . 0.0 110.58 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -64.16 -45.24 89.33 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.96 -39.66 93.82 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.197 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.76 76.16 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.29 -45.05 63.98 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.586 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.82 2.41 55.47 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 122.835 0.454 . . . . 0.0 110.807 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.23 -36.37 52.15 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 122.868 0.467 . . . . 0.0 110.686 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.78 -13.31 59.88 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.711 0.632 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.64 134.52 51.29 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -64.12 -26.72 68.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.215 0.531 . . . . 0.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -69.36 -27.48 65.37 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 124.375 1.07 . . . . 0.0 110.956 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 77.7 t80 -69.71 -47.73 62.08 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-O 121.388 0.613 . . . . 0.0 109.354 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -74.9 -13.97 60.6 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.26 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.53 81.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.232 0.613 . . . . 0.0 109.632 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.62 120.98 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.61 -45.76 20.88 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.412 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -72.27 124.75 25.72 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.027 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.434 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 27.2 ttt -80.41 -37.07 32.87 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.465 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.81 -37.35 84.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.332 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.18 -39.78 94.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.822 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.1 mtm180 -65.25 -43.46 91.26 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.19 -42.88 93.16 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.59 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.0 -42.36 99.82 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.071 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.28 -46.42 89.91 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.87 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.52 -41.5 98.89 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.981 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.91 -40.28 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.073 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.25 -49.38 77.34 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.597 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.08 -45.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 123.322 0.389 . . . . 0.0 110.006 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.01 95.54 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.579 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.78 67.04 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 122.975 0.51 . . . . 0.0 111.439 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.08 92.03 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.489 1.511 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.94 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.784 0.802 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 47.34 20.12 0.15 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.505 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.71 -47.57 85.1 Favored 'General case' 0 C--N 1.376 1.752 0 C-N-CA 122.719 0.407 . . . . 0.0 110.58 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.14 99.55 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.799 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.77 -44.29 86.27 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -64.77 -40.69 95.69 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.88 -47.66 82.35 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -42.25 99.61 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 120.854 0.359 . . . . 0.0 110.781 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.14 -40.81 91.11 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.539 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 tpt -66.15 -45.04 82.42 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mmm -63.71 -43.45 96.53 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.1 -29.11 65.99 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -91.21 -18.48 24.36 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 123.202 0.601 . . . . 0.0 110.974 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.73 11.73 21.37 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 118.839 -0.601 . . . . 0.0 110.374 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.4 mmtt -24.17 116.14 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.873 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 124.576 1.172 . . . . 0.0 108.599 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.604 HD21 ' H ' ' A' ' 22' ' ' ASN . 2.2 m-80 -49.31 121.48 11.31 Favored Pre-proline 0 CA--C 1.606 3.115 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.424 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.6 -15.92 41.89 Favored 'Trans proline' 0 N--CA 1.528 3.501 0 C-N-CA 122.286 1.991 . . . . 0.0 112.298 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -90.86 -4.29 56.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.6 0.563 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 153.11 42.56 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -97.64 168.34 10.41 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.932 0.77 . . . . 0.0 109.104 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.51 -43.87 96.62 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.061 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -57.59 -42.04 82.39 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.448 0.299 . . . . 0.0 110.93 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.26 -45.23 66.85 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 120.69 0.281 . . . . 0.0 111.057 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -65.99 -44.76 83.91 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.062 0.458 . . . . 0.0 111.224 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.89 -39.97 91.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.325 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.36 77.08 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.44 -43.34 63.93 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.453 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -95.43 1.96 54.33 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 122.566 0.346 . . . . 0.0 110.936 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -35.38 49.7 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 122.523 0.329 . . . . 0.0 110.561 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.12 -11.87 59.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.268 0.355 . . . . 0.0 110.814 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.0 137.67 57.27 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -62.27 -33.43 74.61 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.363 0.602 . . . . 0.0 111.375 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -24.59 64.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.76 -52.27 32.23 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -73.57 -16.03 61.27 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.209 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.64 78.13 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.2 mt -89.25 119.05 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.54 -43.82 68.75 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.04 0.936 . . . . 0.0 110.869 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.36 111.65 16.96 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.359 0.6 . . . . 0.0 112.048 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.9 -33.52 75.77 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.869 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.86 -38.66 89.11 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.08 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.54 -43.1 95.06 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.632 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.21 -42.19 93.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.69 89.27 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.151 0.5 . . . . 0.0 110.347 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.44 -42.3 98.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.66 -47.92 84.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -62.81 -41.54 99.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.11 -40.85 82.45 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.879 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.97 -48.09 81.92 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.783 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.64 -45.09 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.43 92.29 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.18 64.47 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.439 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.54 90.63 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.4 mtt 43.61 26.99 0.14 Allowed 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.54 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.83 -39.93 78.81 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.925 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.77 91.07 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.27 -43.15 92.15 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.447 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.34 -42.45 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.65 -37.26 85.66 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.189 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.69 -48.59 76.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.652 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.87 -42.21 97.58 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 122.66 0.384 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.36 -41.39 93.58 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.314 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.85 -44.98 83.85 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.395 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.7 -43.12 99.63 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.23 -38.67 75.26 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.066 0.46 . . . . 0.0 109.999 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.1 -25.48 43.03 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.397 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -86.49 10.85 14.02 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ALA . 40.0 tptt -24.94 116.13 0.05 OUTLIER 'General case' 0 C--N 1.397 2.665 0 O-C-N 124.015 0.822 . . . . 0.0 109.404 -174.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -133.83 171.83 13.63 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 124.523 1.139 . . . . 0.0 108.862 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.89 122.27 9.13 Favored Pre-proline 0 CA--C 1.603 3.008 0 O-C-N 123.569 0.543 . . . . 0.0 110.633 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.42 -16.75 43.72 Favored 'Trans proline' 0 N--CA 1.53 3.674 0 C-N-CA 122.392 2.061 . . . . 0.0 112.263 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -89.61 -6.89 55.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 123.767 0.667 . . . . 0.0 110.993 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.54 46.28 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -95.8 169.44 10.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CD2' ' OE2' ' A' ' 50' ' ' GLU . 81.0 t80 -60.24 -43.77 95.78 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.704 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.422 ' HG ' ' N ' ' A' ' 29' ' ' GLU . 86.5 p -57.85 -41.44 82.37 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.881 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' N ' ' HG ' ' A' ' 28' ' ' SER . 50.7 mt-10 -70.08 -45.42 67.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 120.925 0.393 . . . . 0.0 110.413 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.01 -44.16 90.12 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.498 0.666 . . . . 0.0 111.376 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.13 -38.45 88.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.325 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.59 83.83 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 123.143 0.277 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -69.57 -42.38 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.046 0.538 . . . . 0.0 111.596 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -97.1 0.96 49.4 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.67 -37.14 49.24 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.532 0.333 . . . . 0.0 110.721 -177.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -81.68 -11.17 59.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.466 0.479 . . . . 0.0 110.663 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.46 140.85 58.64 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -61.79 -34.91 76.75 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.31 -28.03 66.81 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.947 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.78 -50.75 63.57 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.168 0.509 . . . . 0.0 111.119 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -75.74 -15.91 60.21 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.019 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.58 76.09 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.7 mm -89.72 114.13 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.06 -43.56 70.94 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.592 0.757 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.13 127.25 32.95 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.955 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.8 ttp -88.08 -27.43 21.97 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -63.04 -39.27 94.23 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.51 -34.16 77.61 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -65.03 -39.3 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 27' ' ' PHE . 72.7 mm-40 -59.94 -43.39 95.0 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -51.67 68.34 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.85 -43.77 95.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.607 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.77 -49.0 79.26 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.315 0.579 . . . . 0.0 109.909 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.9 -41.57 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.674 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -68.28 -41.27 81.26 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.924 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.06 -49.26 76.68 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.99 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.22 -44.62 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.99 92.54 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.03 -40.54 68.36 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.324 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.91 91.52 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.464 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.827 0.346 . . . . 0.0 110.563 -179.436 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 48.03 20.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.399 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.18 -43.18 96.07 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.65 96.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.027 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.51 -42.08 92.45 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.09 -40.58 94.8 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.869 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -63.29 -41.29 98.97 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.575 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.75 -49.39 75.22 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -62.65 -42.53 99.65 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.492 0.663 . . . . 0.0 110.562 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.53 -41.15 93.85 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.337 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.78 -42.08 86.64 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.513 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.99 -42.89 89.19 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.59 -42.46 78.19 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.218 0.532 . . . . 0.0 111.653 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -17.17 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.786 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.75 8.55 34.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 123.466 0.479 . . . . 0.0 109.973 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 19.1 tptm -22.76 118.39 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 O-C-N 124.043 0.84 . . . . 0.0 109.573 -174.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -135.23 173.37 11.79 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 123.954 0.784 . . . . 0.0 109.619 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -46.39 121.6 6.34 Favored Pre-proline 0 CA--C 1.584 2.273 0 O-C-N 123.942 0.776 . . . . 0.0 110.355 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.36 -16.72 39.41 Favored 'Trans proline' 0 N--CA 1.519 3.004 0 C-N-CA 122.382 2.055 . . . . 0.0 112.464 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -90.56 -3.12 57.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 123.641 0.588 . . . . 0.0 111.155 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.4 152.32 42.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.9 p -98.14 169.01 9.9 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 124.061 0.851 . . . . 0.0 108.74 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -60.25 -44.34 95.36 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.988 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -57.94 -39.96 79.34 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.414 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.01 -44.21 66.36 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.164 0.507 . . . . 0.0 111.044 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.68 -46.04 84.12 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.34 -38.41 90.04 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.327 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.15 83.79 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.405 0.441 . . . . 0.0 110.275 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -71.51 -43.33 66.69 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.761 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -94.4 5.13 52.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 123.498 0.499 . . . . 0.0 109.968 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.08 -39.42 59.71 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.608 0.242 . . . . 0.0 110.643 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -77.8 0.01 25.41 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.5 127.62 32.64 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.4 t -60.19 -24.24 64.63 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.027 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.44 -24.54 63.83 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.619 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.01 -47.21 60.06 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.053 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -73.62 -12.87 60.89 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.057 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.11 82.73 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.539 0.524 . . . . 0.0 109.731 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -92.21 116.11 32.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.82 -44.14 64.42 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.977 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.08 128.14 33.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.094 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 tpp -87.84 -27.61 22.13 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.909 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -62.86 -39.77 95.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.091 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.39 -37.37 87.26 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.83 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -65.65 -40.71 92.78 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -42.46 99.08 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.421 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 -46.59 88.22 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.5 -42.89 95.55 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.438 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.21 -46.98 87.86 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.636 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.61 -40.65 97.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.39 -41.32 80.69 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.36 -48.09 82.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.85 -45.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.2 94.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.71 67.09 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.516 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.67 95.2 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.679 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 . . . . . 0 CA--C 1.551 1.006 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.683 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.4 mtm 50.07 20.55 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.936 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.1 -48.33 80.65 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.23 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.13 94.05 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.989 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.56 -42.72 91.52 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.959 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.32 -39.46 93.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -62.18 -40.13 95.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.725 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -62.03 -50.18 73.05 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.498 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.22 -42.03 99.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.806 0.812 . . . . 0.0 111.453 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.27 -40.91 87.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.247 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.5 tpt -68.65 -43.6 75.89 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mmm -61.74 -43.01 99.68 Favored 'General case' 0 N--CA 1.508 2.438 0 C-N-CA 123.338 0.655 . . . . 0.0 112.525 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.25 -38.19 78.32 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.688 0.756 . . . . 0.0 109.627 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.9 -21.65 43.71 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.641 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.18 11.26 21.55 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.2 tppp? -23.39 118.38 0.04 OUTLIER 'General case' 0 C--N 1.38 1.916 0 O-C-N 124.063 0.852 . . . . 0.0 109.651 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.15 173.67 11.46 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 123.676 0.61 . . . . 0.0 109.397 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -48.66 121.7 10.12 Favored Pre-proline 0 CA--C 1.586 2.347 0 O-C-N 124.048 0.842 . . . . 0.0 110.224 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.1 -16.71 40.55 Favored 'Trans proline' 0 N--CA 1.529 3.599 0 C-N-CA 122.153 1.902 . . . . 0.0 112.504 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -90.27 -4.01 57.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.549 0.53 . . . . 0.0 111.321 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.86 154.18 40.71 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 p -98.01 168.08 10.5 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 124.448 1.092 . . . . 0.0 108.081 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.37 -43.83 96.19 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.024 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -57.99 -42.09 84.39 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.69 -45.31 68.59 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.26 0.552 . . . . 0.0 111.268 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.29 -46.85 81.81 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.341 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.37 -38.81 91.16 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.442 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.95 80.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 123.559 0.537 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.91 -44.27 63.95 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.893 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -93.89 4.21 54.25 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.32 -38.53 53.5 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -81.46 -10.78 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.717 0.407 . . . . 0.0 111.023 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.27 133.2 47.6 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.1 m -62.56 -34.77 77.63 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 123.288 0.635 . . . . 0.0 110.465 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -63.0 -28.78 70.34 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.746 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.15 -47.12 68.93 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 121.733 0.778 . . . . 0.0 109.791 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.36 -10.47 59.14 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.493 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -35.79 81.9 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.0 mm -84.96 123.31 39.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.29 -44.66 12.66 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.535 0.734 . . . . 0.0 110.077 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.95 113.84 16.25 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.645 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -38.99 93.15 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.39 -37.71 81.64 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.131 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.96 -34.56 78.26 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.897 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.69 -42.87 99.51 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.134 0.492 . . . . 0.0 109.835 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.19 -42.44 93.6 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.747 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.3 73.95 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 121.01 0.433 . . . . 0.0 110.21 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.14 -42.43 93.84 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.489 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.92 -48.36 82.02 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.994 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.89 -40.9 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.866 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -67.25 -43.49 81.76 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.13 -48.17 82.85 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.931 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.87 -45.8 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 123.863 0.727 . . . . 0.0 110.045 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.24 96.33 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.443 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.38 67.14 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.551 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.25 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.708 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.562 -179.148 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt 44.39 32.04 0.67 Allowed 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 120.96 0.409 . . . . 0.0 111.054 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -60.18 -39.32 86.06 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 123.174 0.59 . . . . 0.0 111.075 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.95 83.15 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.361 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.74 -42.79 90.53 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.26 -38.76 92.43 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.246 0.546 . . . . 0.0 109.558 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -68.82 -29.93 68.38 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.247 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.12 -52.89 44.28 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -62.26 -40.59 96.73 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 123.235 0.614 . . . . 0.0 110.469 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 -43.33 98.04 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.682 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.4 tpt -67.11 -46.17 75.0 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.551 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.0 mmm -63.31 -43.5 97.65 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.38 -42.6 68.2 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.408 0.623 . . . . 0.0 110.11 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.4 -38.91 68.31 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.489 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -79.15 17.15 0.82 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 17.9 tptm -24.28 118.01 0.05 OUTLIER 'General case' 0 C--N 1.385 2.135 0 O-C-N 123.939 0.775 . . . . 0.0 109.213 -174.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -134.72 173.21 11.94 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.348 1.03 . . . . 0.0 109.089 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -48.18 121.1 8.79 Favored Pre-proline 0 CA--C 1.609 3.24 0 O-C-N 123.692 0.62 . . . . 0.0 110.36 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.35 -16.42 39.27 Favored 'Trans proline' 0 N--CA 1.526 3.437 0 C-N-CA 122.573 2.182 . . . . 0.0 111.578 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -90.18 -5.01 56.9 Favored 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 123.186 0.595 . . . . 0.0 110.945 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.59 157.09 38.6 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -100.24 165.97 11.22 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.463 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.5 -45.87 64.81 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 120.967 0.413 . . . . 0.0 110.113 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -65.19 -43.64 90.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.097 0.475 . . . . 0.0 111.141 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.26 -38.54 90.63 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.918 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.56 81.5 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 122.722 0.409 . . . . 0.0 110.386 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.68 -42.32 70.88 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.198 0.599 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.67 0.75 50.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 122.707 0.403 . . . . 0.0 110.473 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.69 -35.57 55.73 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 122.325 0.25 . . . . 0.0 110.589 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -77.69 -12.72 60.0 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.593 0.558 . . . . 0.0 110.413 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.25 142.86 56.77 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -69.99 -18.49 63.33 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.85 -24.95 60.95 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.601 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.69 -52.23 47.05 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 121.123 0.487 . . . . 0.0 110.698 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -73.74 -16.67 61.17 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.798 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.99 79.2 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.133 0.573 . . . . 0.0 109.941 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.9 115.73 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -70.15 -41.45 73.83 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.09 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -85.45 107.46 17.42 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.263 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.56 73.91 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 123.653 0.781 . . . . 0.0 109.505 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.23 -38.38 86.45 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.686 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.04 -36.8 85.51 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -64.14 -41.23 97.27 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.25 -40.74 96.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.773 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.51 70.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.07 -40.55 96.5 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.522 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.09 -46.53 89.28 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.236 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.04 -40.55 78.51 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.012 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.26 -49.33 77.51 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.558 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.76 -45.28 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.74 93.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.72 60.39 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 122.972 0.509 . . . . 0.0 111.152 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.39 88.05 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.556 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.36 0.6 . . . . 0.0 110.312 179.573 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 44.43 28.01 0.27 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 121.221 0.534 . . . . 0.0 110.288 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.43 -39.34 90.43 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.691 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.54 93.85 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 123.922 0.764 . . . . 0.0 110.699 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.41 -43.39 90.71 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.037 0.535 . . . . 0.0 111.039 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.46 -42.84 95.71 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.06 -40.56 98.06 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.372 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -63.55 -50.49 69.31 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -62.11 -40.68 96.71 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-O 121.852 0.834 . . . . 0.0 110.878 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -57.83 -38.74 76.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.044 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 tpt -67.84 -43.33 79.78 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.637 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.3 mtp -61.05 -43.86 98.25 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.96 -37.71 75.88 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-O 121.209 0.528 . . . . 0.0 109.59 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -80.46 -20.6 43.4 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.634 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.82 6.18 45.39 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.2 tptp -24.19 117.47 0.05 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 O-C-N 124.19 0.931 . . . . 0.0 109.245 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -136.25 173.6 11.53 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.81 0.693 . . . . 0.0 109.385 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.53 HD21 ' H ' ' A' ' 22' ' ' ASN . 3.4 m-80 -45.63 120.27 4.91 Favored Pre-proline 0 CA--C 1.59 2.483 0 O-C-N 123.73 0.644 . . . . 0.0 110.552 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -17.73 42.03 Favored 'Trans proline' 0 N--CA 1.528 3.534 0 C-N-CA 122.254 1.969 . . . . 0.0 112.518 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -89.83 -5.06 57.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.652 0.595 . . . . 0.0 111.342 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 155.08 40.5 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 m -95.31 166.54 11.84 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -61.3 -43.29 99.12 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.98 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -58.49 -41.05 84.44 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.19 -45.23 70.44 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.253 0.549 . . . . 0.0 110.596 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.0 -45.81 84.03 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.358 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.69 -39.8 91.66 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.243 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.81 74.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 123.584 0.553 . . . . 0.0 109.84 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.62 -43.77 62.84 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.696 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -94.81 2.55 55.49 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 123.101 0.56 . . . . 0.0 110.544 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.49 -38.37 59.31 Favored 'General case' 0 N--CA 1.503 2.175 0 C-N-CA 122.846 0.458 . . . . 0.0 110.928 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.06 -13.53 59.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.66 141.48 58.76 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.97 -35.38 81.01 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.317 0.647 . . . . 0.0 111.396 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.55 -25.43 66.65 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.411 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.65 -51.54 40.92 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.969 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -75.3 -15.68 60.49 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.35 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.87 82.01 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.22 119.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.34 -44.91 61.94 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.353 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.31 124.24 27.87 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.429 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -82.97 -25.79 31.95 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -64.37 -39.07 93.15 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.92 -37.72 88.57 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.639 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -66.15 -41.44 90.42 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 121.164 0.507 . . . . 0.0 110.097 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.21 -42.68 96.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.213 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.8 83.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -63.03 -44.15 96.74 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.907 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.21 -47.92 83.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.149 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -61.62 -43.43 98.87 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.906 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.79 -38.52 76.7 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.715 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -61.07 -48.71 80.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -64.09 -45.62 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 123.528 0.518 . . . . 0.0 110.219 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.68 96.5 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.725 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.71 61.2 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.475 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.19 86.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.617 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.765 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 47.17 19.85 0.12 Allowed 'General case' 0 C--N 1.389 2.286 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.13 -48.78 78.61 Favored 'General case' 0 C--N 1.369 1.446 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.76 88.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.762 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.41 -41.69 93.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.891 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -65.91 -39.11 90.28 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.827 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -62.17 -38.62 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.074 0.859 . . . . 0.0 109.391 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.27 -50.18 72.73 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.511 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.24 -41.09 99.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.577 0.704 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.67 -39.95 82.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.019 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.54 -44.16 71.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -44.11 97.9 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.36 -37.47 77.64 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.133 0.492 . . . . 0.0 109.956 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.98 -20.54 41.66 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.348 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.24 9.37 28.88 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 19' ' ' ALA . 41.0 tptt -22.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.288 0 O-C-N 124.05 0.844 . . . . 0.0 109.431 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -135.39 173.7 11.43 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.527 1.142 . . . . 0.0 109.862 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -49.8 123.32 14.84 Favored Pre-proline 0 CA--C 1.597 2.774 0 O-C-N 123.865 0.728 . . . . 0.0 110.385 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.09 -16.68 40.57 Favored 'Trans proline' 0 N--CA 1.521 3.124 0 C-N-CA 122.347 2.031 . . . . 0.0 112.393 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -90.24 -4.2 57.34 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 123.674 0.609 . . . . 0.0 111.228 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.27 152.66 43.07 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.8 p -97.57 165.62 11.9 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.99 -44.05 97.98 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.043 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -59.2 -39.32 82.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.313 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -70.51 -45.98 64.55 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.124 0.488 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.49 -44.87 89.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.16 -39.3 92.75 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.354 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.22 79.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.361 0.413 . . . . 0.0 109.969 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.38 -43.35 67.05 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.86 3.61 54.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.439 0.462 . . . . 0.0 110.339 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.71 -35.77 56.24 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 122.574 0.349 . . . . 0.0 110.58 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -78.82 -11.98 60.01 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.45 139.81 57.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.53 -21.58 66.72 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.126 0.488 . . . . 0.0 111.857 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -70.34 -24.53 63.01 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.426 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -70.28 -52.39 23.29 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.434 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.89 -15.27 60.71 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.105 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.5 77.86 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.153 0.581 . . . . 0.0 109.57 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 mm -95.72 119.68 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -70.33 -41.56 73.07 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.098 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.92 108.31 20.68 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.746 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.56 -10.27 59.51 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -65.26 -40.93 94.61 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.205 0.526 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.11 -36.87 85.65 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -65.15 -41.74 94.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.79 -43.32 96.67 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.9 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.409 0.624 . . . . 0.0 110.484 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.56 -42.71 95.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.93 -47.59 85.17 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.754 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.45 -40.76 97.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -68.58 -41.03 80.24 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.313 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.47 -48.66 80.12 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.189 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.51 95.15 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.527 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.38 -41.72 66.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.554 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.98 93.71 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.825 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 N--CA 1.489 1.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.628 -179.314 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 43.88 32.35 0.6 Allowed 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 121.134 0.492 . . . . 0.0 111.066 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -64.37 -41.38 96.74 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.741 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -49.04 78.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.08 -42.35 89.5 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.328 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.69 -39.51 93.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.295 0.569 . . . . 0.0 109.506 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -63.52 -35.03 79.11 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.65 -50.27 69.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.33 -40.99 98.84 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.417 0.627 . . . . 0.0 110.64 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.04 -42.69 94.98 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.06 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.25 -46.13 71.31 Favored 'General case' 0 CA--C 1.568 1.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.77 -42.67 99.8 Favored 'General case' 0 N--CA 1.509 2.521 0 C-N-CA 123.309 0.644 . . . . 0.0 112.576 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.78 -38.72 76.78 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.67 -23.83 42.2 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.672 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.98 6.88 33.78 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.7 tptt -24.65 117.11 0.05 Allowed 'General case' 0 C--N 1.396 2.596 0 O-C-N 124.287 0.992 . . . . 0.0 109.256 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -134.85 173.22 11.95 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.951 0.782 . . . . 0.0 109.42 -176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.88 119.98 4.06 Favored Pre-proline 0 CA--C 1.6 2.886 0 O-C-N 123.766 0.666 . . . . 0.0 110.514 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.79 -17.61 42.06 Favored 'Trans proline' 0 N--CA 1.528 3.546 0 C-N-CA 122.353 2.035 . . . . 0.0 112.168 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -88.8 -6.61 57.26 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.564 0.54 . . . . 0.0 111.058 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 152.81 42.25 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -94.87 168.42 10.81 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.006 0.816 . . . . 0.0 108.86 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -60.59 -42.76 97.38 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.707 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.6 t -58.51 -42.25 87.26 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.471 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.58 -45.0 73.2 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.582 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -64.73 -45.01 88.33 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.131 0.491 . . . . 0.0 110.978 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.46 -38.22 89.19 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.368 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.33 79.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.262 0.351 . . . . 0.0 110.198 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.6 -42.59 70.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 122.701 0.4 . . . . 0.0 111.479 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -95.26 1.2 54.47 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 122.499 0.32 . . . . 0.0 110.585 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.13 -39.04 63.18 Favored 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 122.665 0.386 . . . . 0.0 110.549 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -77.18 -14.59 59.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.089 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.61 139.3 58.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.4 t -62.43 -22.06 65.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.087 0.47 . . . . 0.0 111.042 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -69.81 -25.79 63.94 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.08 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -68.09 -51.59 44.68 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 121.057 0.455 . . . . 0.0 111.104 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -76.46 -14.87 60.02 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.628 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.43 80.6 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.146 0.578 . . . . 0.0 109.901 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.12 117.17 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.65 -43.34 69.39 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.79 0.836 . . . . 0.0 110.569 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -91.87 107.33 19.13 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.502 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.4 mtt -72.41 -11.25 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.323 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.71 -41.33 92.41 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -34.65 78.74 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -65.15 -42.55 93.65 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.48 -44.5 86.9 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.55 77.08 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.224 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.01 -42.3 99.8 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.763 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -58.17 -46.68 85.32 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.07 -41.54 98.27 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.09 -40.26 78.52 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.55 -49.04 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.662 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.7 t -64.32 -45.2 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.61 95.36 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.03 62.4 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.681 0.393 . . . . 0.0 111.325 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.67 91.47 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.709 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.6 mt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 44.85 26.07 0.18 Allowed 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.337 0.589 . . . . 0.0 110.054 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -59.93 -41.83 92.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.424 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.39 98.95 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.091 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -65.38 -44.73 86.62 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.289 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -66.0 -41.09 91.5 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.446 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.1 -39.21 91.7 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.2 -48.76 76.94 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.125 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.21 -42.56 99.41 Favored 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.374 0.607 . . . . 0.0 111.619 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.07 -39.3 85.56 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.339 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.68 -44.51 90.09 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.0 mtp -63.99 -43.17 96.53 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -68.45 -32.46 72.49 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.7 -19.32 26.29 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 123.174 0.59 . . . . 0.0 111.065 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -93.17 10.39 31.95 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.36 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ALA . 53.0 mtmt -26.29 119.79 0.08 Allowed 'General case' 0 C--N 1.416 3.493 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -173.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -133.73 172.56 12.6 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.45 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -47.18 120.89 7.01 Favored Pre-proline 0 CA--C 1.605 3.079 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.561 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.25 -17.03 44.86 Favored 'Trans proline' 0 N--CA 1.53 3.661 0 C-N-CA 122.372 2.048 . . . . 0.0 112.243 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -89.62 -5.37 57.21 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.5 0.5 . . . . 0.0 111.028 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 151.86 43.64 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -96.46 169.24 10.05 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.058 0.849 . . . . 0.0 108.907 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.46 -44.1 93.05 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.531 0.732 . . . . 0.0 110.597 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -58.05 -43.27 86.78 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.675 0.39 . . . . 0.0 111.076 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.55 -45.42 68.79 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.01 -45.68 84.53 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.211 0.529 . . . . 0.0 111.103 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.25 -39.93 89.83 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.86 73.49 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -73.45 -43.69 59.77 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.99 1.64 55.23 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 122.54 0.336 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.91 -36.82 50.22 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 122.866 0.466 . . . . 0.0 110.225 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -81.12 -12.08 59.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.433 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.93 140.12 58.31 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -65.06 -33.49 76.15 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.49 0.662 . . . . 0.0 111.249 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 -25.21 63.44 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.996 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -69.17 -51.96 32.89 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 120.924 0.392 . . . . 0.0 110.731 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -72.69 -14.64 61.62 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.655 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.15 79.03 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.308 0.643 . . . . 0.0 109.469 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.2 mt -79.92 123.72 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.97 -44.17 18.57 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.413 0.685 . . . . 0.0 109.538 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.2 108.91 9.45 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.859 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.4 ttp -64.94 -36.85 85.7 Favored 'General case' 0 CA--C 1.57 1.741 0 CA-C-O 121.386 0.613 . . . . 0.0 110.181 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.26 -37.31 82.64 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.921 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -35.29 80.59 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -43.68 98.44 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.368 1.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.533 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.73 74.78 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.837 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.31 -41.99 96.57 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.764 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.6 -47.89 84.2 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.177 0.513 . . . . 0.0 110.078 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.15 -41.3 99.24 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.783 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.31 -42.29 79.61 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.78 -48.18 81.81 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.503 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -44.79 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.54 93.54 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.783 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.14 57.41 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.73 87.97 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 122.582 0.353 . . . . 0.0 110.4 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.516 0.674 . . . . 0.0 110.524 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.245 0.826 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 81.4 mtp 38.16 25.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.033 0.533 . . . . 0.0 111.947 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.209 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.49 95.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.118 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -65.4 -43.07 91.76 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.652 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -65.61 -39.19 91.26 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.09 -37.91 89.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.353 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.91 -48.24 81.35 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.857 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.02 -41.61 99.59 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 121.616 0.722 . . . . 0.0 111.024 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.81 -39.06 87.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.0 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 tpt -69.96 -43.79 70.81 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.32 -41.37 96.85 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.09 -42.93 83.79 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.03 0.443 . . . . 0.0 111.595 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.45 -16.78 53.58 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.042 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.66 4.92 47.98 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.917 0.487 . . . . 0.0 109.711 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.0 tptp -23.91 118.44 0.04 OUTLIER 'General case' 0 C--N 1.376 1.745 0 O-C-N 124.354 1.034 . . . . 0.0 109.568 -173.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.54 173.27 11.9 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 123.819 0.699 . . . . 0.0 109.345 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.81 119.84 3.97 Favored Pre-proline 0 CA--C 1.582 2.205 0 O-C-N 124.016 0.823 . . . . 0.0 110.319 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -69.12 -17.4 40.48 Favored 'Trans proline' 0 N--CA 1.52 3.044 0 C-N-CA 122.171 1.914 . . . . 0.0 112.541 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.36 -5.78 57.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.733 0.645 . . . . 0.0 111.376 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 150.67 44.02 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -93.66 169.28 10.45 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.78 -42.64 97.94 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.754 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -58.38 -42.2 86.53 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.545 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -69.01 -44.86 71.92 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.982 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.68 -46.44 82.4 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.047 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.06 -39.64 93.57 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.199 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.33 79.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.618 0.574 . . . . 0.0 109.948 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.35 -44.11 65.69 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.839 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.94 3.19 55.24 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 123.587 0.555 . . . . 0.0 110.279 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.48 -36.83 55.88 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 120.77 0.319 . . . . 0.0 110.686 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.51 -13.31 60.1 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.076 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.7 140.65 58.89 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -68.08 -27.82 66.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.029 0.443 . . . . 0.0 111.396 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -70.65 -23.0 62.44 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.7 -53.07 24.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.079 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -74.68 -15.36 60.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.938 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.89 85.42 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.72 121.75 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -73.79 -45.34 52.15 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 123.523 0.729 . . . . 0.0 111.549 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.92 107.44 12.7 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.554 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.421 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 48.9 ttp -67.69 -35.33 78.63 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.123 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -59.27 -37.04 76.64 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.866 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.46 -39.01 93.33 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.631 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.2 mtm180 -64.53 -39.45 93.79 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.281 0.562 . . . . 0.0 110.823 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.62 -41.53 98.27 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.789 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.61 86.83 Favored 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.215 0.531 . . . . 0.0 110.057 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.12 -42.27 96.91 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.736 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.83 -48.06 82.65 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.926 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.7 -41.44 99.12 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.211 0.529 . . . . 0.0 110.024 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.88 -41.12 78.75 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.25 -48.29 82.11 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.582 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.21 -45.31 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.46 95.44 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.567 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.77 64.58 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.381 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.63 87.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.762 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.482 1.148 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.445 -179.065 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 mmt 44.02 31.48 0.53 Allowed 'General case' 0 N--CA 1.508 2.434 0 CA-C-O 120.938 0.399 . . . . 0.0 111.244 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.13 -41.56 96.95 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.966 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.51 73.81 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.494 0.317 . . . . 0.0 110.818 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -65.37 -41.65 93.57 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.715 0.406 . . . . 0.0 111.011 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.02 -43.52 95.37 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -63.2 -39.23 94.06 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.942 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -64.13 -50.62 67.52 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.36 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.19 -43.25 98.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.132 0.492 . . . . 0.0 110.512 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.61 -43.39 97.51 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.196 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.1 tpt -66.39 -43.31 86.21 Favored 'General case' 0 CA--C 1.576 1.974 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.975 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.2 mmm -65.17 -41.97 94.13 Favored 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -68.45 -39.25 81.52 Favored 'General case' 0 N--CA 1.512 2.641 0 O-C-N 122.203 -0.311 . . . . 0.0 111.085 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -16.07 41.01 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.175 0.59 . . . . 0.0 111.399 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.31 15.46 10.47 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.5 mmtt -23.66 116.08 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.232 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -175.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -132.88 169.95 16.03 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.681 1.238 . . . . 0.0 108.363 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -50.61 121.52 14.66 Favored Pre-proline 0 CA--C 1.604 3.048 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.346 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.09 -16.7 45.17 Favored 'Trans proline' 0 N--CA 1.532 3.762 0 C-N-CA 122.332 2.021 . . . . 0.0 112.143 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.12 -6.41 55.44 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 123.705 0.628 . . . . 0.0 111.196 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 156.12 39.86 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 m -97.27 164.99 12.25 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -60.59 -42.75 97.35 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.465 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.7 t -58.65 -41.74 86.77 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.839 0.456 . . . . 0.0 110.783 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.75 -43.78 79.1 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 120.945 0.403 . . . . 0.0 110.087 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.43 -45.1 85.2 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 121.211 0.529 . . . . 0.0 110.951 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.88 -38.65 89.35 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.735 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.36 84.75 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.033 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -71.03 -43.38 68.02 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.022 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -92.81 3.95 54.72 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 122.462 0.305 . . . . 0.0 110.897 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -40.64 61.95 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 122.586 0.355 . . . . 0.0 110.677 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -79.38 0.22 30.05 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.785 0.434 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -82.72 124.93 30.69 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.9 p -57.45 -27.93 62.89 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.718 0.407 . . . . 0.0 110.499 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -64.95 -28.2 69.36 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 44.2 t80 -68.43 -45.13 73.38 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.433 0.635 . . . . 0.0 110.012 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.61 -11.42 60.64 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.513 -1.222 . . . . 0.0 111.158 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.1 90.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.024 0.53 . . . . 0.0 110.487 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 mp -85.36 129.09 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -87.31 -44.01 11.73 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.356 0.598 . . . . 0.0 109.514 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.4 141.83 41.3 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.139 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -103.07 -26.38 13.07 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 123.803 0.841 . . . . 0.0 110.239 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.3 -35.24 80.41 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' NH1' ' CE2' ' A' ' 40' ' ' PHE . 78.3 mtt180 -64.49 -44.9 89.51 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.53 -43.93 88.46 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.612 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.77 75.04 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.081 0.467 . . . . 0.0 110.334 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.0 -42.67 97.09 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.52 -46.72 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.959 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.07 -41.42 98.15 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.259 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.98 -40.19 83.17 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.88 -48.09 82.08 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.821 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.71 -44.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.14 93.29 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.61 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.93 -41.58 61.86 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.852 0.461 . . . . 0.0 111.534 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.18 90.23 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.907 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.74 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.243 0.754 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.8 mtt 46.32 21.52 0.12 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.704 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.83 -45.22 93.61 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.882 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.22 87.04 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.13 -43.39 95.39 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.312 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.79 -43.24 93.84 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.649 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.43 94.81 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.124 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -64.28 -49.7 70.82 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.822 0.82 . . . . 0.0 110.276 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.24 -44.07 97.4 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.926 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.32 -36.5 75.76 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.639 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 tpt -70.85 -43.17 69.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.1 mmm -61.64 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.411 -176.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.62 -35.72 75.52 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.114 0.483 . . . . 0.0 110.638 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.8 -17.92 45.89 Favored 'General case' 0 C--N 1.367 1.351 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.379 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.54 5.91 50.32 Favored 'General case' 0 CA--C 1.491 -1.322 0 O-C-N 124.651 1.219 . . . . 0.0 109.538 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 19' ' ' ALA . 36.9 ttpt -25.82 120.45 0.07 Allowed 'General case' 0 C--N 1.362 1.141 0 O-C-N 124.189 0.931 . . . . 0.0 110.743 -175.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -135.85 172.69 12.64 Favored 'General case' 0 CA--C 1.481 -1.688 0 O-C-N 124.538 1.149 . . . . 0.0 109.77 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.515 HD21 ' H ' ' A' ' 22' ' ' ASN . 4.9 m-80 -43.38 108.59 0.69 Allowed Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 125.113 1.508 . . . . 0.0 109.05 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.44 -31.9 92.55 Favored 'Trans proline' 0 N--CA 1.532 3.79 0 C-N-CA 122.584 2.189 . . . . 0.0 113.3 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -74.31 -5.16 40.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.358 1.036 . . . . 0.0 111.803 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 160.15 30.25 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.0 p -98.84 166.99 11.04 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 124.533 1.146 . . . . 0.0 108.714 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.96 -44.51 97.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.489 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -56.08 -41.0 74.44 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.262 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.31 -44.47 71.69 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.56 0.695 . . . . 0.0 110.969 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.52 -46.33 83.4 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.09 -39.52 94.23 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.23 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.93 77.99 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 123.459 0.474 . . . . 0.0 110.382 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -72.71 -41.82 64.83 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 123.585 0.553 . . . . 0.0 111.833 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.12 2.72 53.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 124.337 1.023 . . . . 0.0 110.03 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.71 -37.6 51.57 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.522 0.329 . . . . 0.0 110.178 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.15 -10.4 59.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.44 141.82 57.79 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -67.01 -30.78 70.98 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.329 0.585 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -68.94 -21.49 64.19 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.177 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.53 -52.32 18.87 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 124.14 0.9 . . . . 0.0 110.949 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.72 -12.94 60.06 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.752 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -35.99 82.1 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.33 123.05 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -71.91 -45.97 59.32 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.203 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.68 135.07 36.45 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.254 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -97.35 -23.48 16.09 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -63.4 -40.2 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 122.625 0.37 . . . . 0.0 111.409 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.61 -38.49 90.4 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.142 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -65.95 -40.42 91.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.357 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.03 -42.4 94.39 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.284 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.01 91.32 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.522 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -58.21 -47.42 83.55 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.431 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.92 -42.11 98.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.915 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.5 -39.4 77.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.422 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.32 -48.0 83.37 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.38 -45.75 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.977 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.63 94.79 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.16 -42.66 59.58 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.568 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.91 89.96 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.352 0.703 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.737 -178.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.1 mt . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 46.76 27.92 0.74 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -62.67 -40.87 98.43 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.398 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.24 81.95 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.838 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.17 -41.16 94.9 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.962 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.4 -43.43 94.44 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.539 0.685 . . . . 0.0 109.792 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.75 -38.46 91.17 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.819 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -62.86 -49.68 73.9 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.9 -41.77 99.55 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-O 121.56 0.695 . . . . 0.0 111.019 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.35 -41.25 88.75 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.513 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.9 ttp -68.1 -44.68 75.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.738 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mmm -62.16 -43.52 98.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.25 -37.7 78.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.306 0.574 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.01 -20.94 44.22 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.303 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.63 12.47 18.84 Favored 'General case' 0 CA--C 1.496 -1.125 0 O-C-N 123.837 0.711 . . . . 0.0 109.772 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 19' ' ' ALA . 5.3 tppt? -23.07 118.26 0.04 OUTLIER 'General case' 0 C--N 1.372 1.586 0 O-C-N 124.129 0.893 . . . . 0.0 110.492 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.62 173.94 11.16 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.266 0.978 . . . . 0.0 109.342 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.461 HD21 ' H ' ' A' ' 22' ' ' ASN . 4.6 m-80 -49.05 121.92 11.07 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 124.999 1.437 . . . . 0.0 110.109 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -69.04 -16.56 40.71 Favored 'Trans proline' 0 N--CA 1.528 3.538 0 C-N-CA 122.251 1.967 . . . . 0.0 112.736 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -91.06 -2.21 57.67 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.931 0.77 . . . . 0.0 111.777 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.26 155.93 37.75 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -99.47 167.61 10.51 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.518 1.136 . . . . 0.0 108.105 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.74 -44.63 96.44 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.237 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 m -56.42 -40.65 75.06 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.79 -45.66 64.29 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.303 0.573 . . . . 0.0 111.434 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.68 -46.61 81.69 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.383 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.56 -39.38 91.63 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.668 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -37.59 74.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.871 0.732 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.47 -41.77 60.18 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.075 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -95.13 1.11 54.79 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.376 0.671 . . . . 0.0 110.161 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.49 -37.81 50.93 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.73 -11.68 59.83 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.928 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -70.97 142.05 51.02 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -69.7 -33.84 73.08 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.926 0.766 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.04 -29.63 70.97 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.024 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -68.0 -48.08 66.74 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.482 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -69.12 -10.65 58.69 Favored 'General case' 0 N--CA 1.504 2.256 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.11 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.65 88.15 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.227 0.955 . . . . 0.0 109.704 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.5 mt -83.53 128.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.55 -45.17 11.33 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -77.87 115.33 17.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.189 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -65.9 -35.18 79.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.893 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -61.26 -38.15 85.67 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.997 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.11 -34.78 79.23 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.423 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.17 -43.98 96.73 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.449 0.642 . . . . 0.0 109.469 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -65.44 -43.57 90.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.726 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.61 78.02 Favored 'General case' 0 C--N 1.362 1.151 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.21 -43.11 99.06 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.69 -46.97 87.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.141 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.12 -42.16 98.95 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.046 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.56 -39.63 77.27 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.621 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.09 -48.01 83.69 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.485 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.15 -45.84 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.351 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.43 95.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.57 -41.88 65.24 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 123.694 0.621 . . . . 0.0 111.334 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.55 89.99 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.502 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 . . . . . 0 C--N 1.361 1.099 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.545 -178.834 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 58.1 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.792 0.33 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtm 40.37 34.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.31 -38.17 87.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.579 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.99 99.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.18 -40.89 94.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.73 -38.58 86.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -63.49 -40.37 96.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.83 -48.33 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.41 -41.4 98.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.69 -33.99 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 tpt -75.26 -38.53 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.525 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 mmm -67.01 -44.58 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.01 -35.37 76.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -7.52 56.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.612 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.594 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -99.16 16.27 23.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 19' ' ' ALA . 26.7 mmtp -21.47 117.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -135.74 172.8 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.436 HD21 ' H ' ' A' ' 22' ' ' ASN . 3.9 m-80 -49.62 122.34 13.11 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.85 -16.88 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.748 2.299 . . . . 0.0 112.158 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.43 0.03 57.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 158.79 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.2 p -101.78 168.24 9.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.606 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.62 -42.07 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -56.7 -41.18 76.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.3 -42.54 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.41 -43.5 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.39 -38.08 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.99 68.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.46 -37.15 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.35 0.88 46.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.89 -39.72 59.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -80.38 11.97 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.47 140.62 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 m -69.4 -23.01 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -72.44 -17.65 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.48 -50.27 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -73.17 -4.93 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mt -97.82 118.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.546 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.47 -42.59 87.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.51 137.82 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.6 mtt -100.74 -12.96 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.08 -38.51 91.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -66.36 -35.86 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.62 -41.1 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.79 -40.48 95.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.98 83.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.89 -41.46 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.8 -41.39 97.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.61 -36.98 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.94 -48.39 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.11 -44.21 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.42 89.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.486 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.36 89.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -178.853 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 39.31 37.12 0.24 Allowed 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.388 0.613 . . . . 0.0 111.232 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.11 -36.49 77.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.035 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.7 79.13 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.907 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.62 -43.69 92.94 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.359 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.46 -42.92 91.79 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.243 0.544 . . . . 0.0 110.104 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.02 -38.37 90.83 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.058 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CA ' HH21 ' A' ' 39' ' ' ARG . 67.5 t80 -65.0 -49.75 69.01 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.072 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.74 -42.77 99.4 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.645 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.19 -40.63 82.02 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 113.701 -1.591 . . . . 0.0 109.045 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.23 -42.51 79.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.729 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -42.87 99.24 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.65 -38.39 77.1 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.253 0.549 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.5 -20.48 47.16 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.23 10.14 23.2 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 21.9 tptp -22.99 117.49 0.04 OUTLIER 'General case' 0 C--N 1.382 1.989 0 O-C-N 124.018 0.824 . . . . 0.0 109.457 -173.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -135.32 173.61 11.53 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.024 0.827 . . . . 0.0 109.611 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.551 HD21 ' H ' ' A' ' 22' ' ' ASN . 2.9 m-80 -49.61 121.26 11.81 Favored Pre-proline 0 CA--C 1.591 2.555 0 O-C-N 123.899 0.749 . . . . 0.0 110.033 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.78 -17.14 42.24 Favored 'Trans proline' 0 N--CA 1.522 3.151 0 C-N-CA 122.261 1.974 . . . . 0.0 112.139 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.46 -2.74 57.94 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.8 0.44 . . . . 0.0 111.348 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.04 157.44 36.11 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -101.43 166.78 10.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.86 -43.43 98.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.008 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -57.78 -42.85 84.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.744 0.418 . . . . 0.0 110.81 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.56 -44.89 69.96 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.112 0.482 . . . . 0.0 110.732 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -64.67 -44.69 89.55 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 121.116 0.484 . . . . 0.0 111.309 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.8 -39.09 93.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.039 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.39 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.909 0.484 . . . . 0.0 110.465 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -71.24 -42.08 69.31 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.759 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.55 2.07 54.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 123.445 0.466 . . . . 0.0 109.985 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.08 -38.07 62.23 Favored 'General case' 0 N--CA 1.505 2.32 0 C-N-CA 122.455 0.302 . . . . 0.0 110.685 -176.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.69 -13.44 60.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.14 141.17 58.86 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 m -65.56 -26.62 67.96 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.905 0.482 . . . . 0.0 110.287 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.424 HH21 ' CA ' ' A' ' 12' ' ' PHE . 66.7 mtp85 -70.32 -24.05 62.94 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.532 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -67.67 -52.31 39.53 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -74.85 -16.18 60.69 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.46 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.71 -34.92 78.94 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -93.0 119.65 41.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.44 -42.36 75.07 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.125 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.17 108.71 21.47 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.6 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.43 -9.81 58.77 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.569 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.2 -40.86 94.78 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.325 0.583 . . . . 0.0 110.273 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.75 -37.04 86.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -64.31 -40.18 95.41 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.39 0.614 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.03 -42.25 99.72 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.653 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.75 76.5 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.83 -41.97 95.32 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.457 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.32 -48.04 83.12 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.691 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.81 -41.13 99.16 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.813 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.24 -41.85 80.56 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.038 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.22 -48.56 80.95 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.89 -45.52 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.028 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.64 95.73 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.605 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.57 66.37 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.39 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.7 92.07 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.583 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 N--CA 1.483 1.177 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.567 -179.549 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.9 mmm 46.66 23.27 0.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.794 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.21 -44.1 95.43 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.224 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.09 79.09 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.885 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.41 -40.11 92.96 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.951 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.3 -40.04 96.25 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -69.29 -32.5 71.7 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.809 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' HA ' HH22 ' A' ' 39' ' ' ARG . 52.2 t80 -64.41 -54.66 29.19 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.144 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -64.69 -38.83 92.35 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.464 0.65 . . . . 0.0 110.779 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.08 -43.8 98.34 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.835 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -68.84 -45.58 70.77 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.702 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mmm -63.02 -42.6 99.83 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.45 -38.41 77.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.43 -23.15 40.5 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.747 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -88.76 12.78 14.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.7 tppt? -23.11 117.59 0.04 OUTLIER 'General case' 0 C--N 1.386 2.192 0 O-C-N 123.859 0.724 . . . . 0.0 109.59 -174.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.65 172.8 12.44 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.305 1.003 . . . . 0.0 109.374 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -49.02 121.92 11.0 Favored Pre-proline 0 CA--C 1.605 3.058 0 O-C-N 123.823 0.702 . . . . 0.0 110.358 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.19 -18.81 39.53 Favored 'Trans proline' 0 N--CA 1.526 3.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.42 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -88.05 -4.45 58.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 123.771 0.669 . . . . 0.0 111.395 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 153.37 42.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -96.5 164.53 12.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.18 -44.24 97.6 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.761 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 29' ' ' GLU . 81.2 p -59.44 -38.02 79.61 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.24 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' N ' ' HG ' ' A' ' 28' ' ' SER . 83.7 tt0 -71.29 -45.51 62.93 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 121.043 0.449 . . . . 0.0 109.949 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.66 -44.73 89.47 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.212 0.529 . . . . 0.0 110.994 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.07 -39.36 93.14 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.318 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.93 76.2 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -70.84 -43.31 68.79 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -96.31 2.72 53.06 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 123.13 0.268 . . . . 0.0 110.95 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.19 -36.6 61.13 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.631 0.372 . . . . 0.0 110.609 -177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 -13.27 59.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.419 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.5 139.61 53.88 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -63.07 -21.36 66.12 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.03 0.443 . . . . 0.0 110.857 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.411 HH22 ' HA ' ' A' ' 12' ' ' PHE . 29.0 mtp85 -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.773 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.54 -45.32 72.5 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.323 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -78.44 -14.96 59.14 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.2 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -36.5 81.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.081 0.552 . . . . 0.0 109.777 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -96.32 118.12 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -70.1 -42.1 73.14 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.56 106.44 18.41 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.53 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 mtm -70.64 -11.97 61.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.987 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.95 -41.28 95.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.453 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.18 -36.71 85.06 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.146 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -65.67 -41.94 91.89 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.5 -43.41 94.21 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.615 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.43 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.103 0.478 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.32 -41.46 98.91 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.883 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.59 -46.04 90.13 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.859 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.44 -41.46 98.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.917 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.08 -39.81 78.82 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.7 -48.61 79.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.428 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.33 -44.77 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.66 92.85 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.72 59.91 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.194 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.62 86.97 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 C--N 1.364 1.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.573 1.85 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 70.5 mtm 39.13 38.24 0.3 Allowed 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.157 0.503 . . . . 0.0 110.573 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.62 -37.85 85.46 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.148 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.78 94.22 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.526 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -65.48 -43.46 90.2 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -39.32 90.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.72 -38.74 92.24 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.61 -48.91 77.35 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.201 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.18 -41.59 99.23 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.244 0.545 . . . . 0.0 110.865 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.28 -42.02 90.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.948 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.2 tpt -67.15 -43.87 81.21 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mmm -63.0 -42.93 99.98 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 123.402 0.681 . . . . 0.0 112.127 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.13 -29.37 66.28 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.64 -19.01 23.14 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.273 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.76 6.53 45.62 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.306 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ALA . 14.9 mmmt -23.54 116.16 0.04 OUTLIER 'General case' 0 C--N 1.393 2.481 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 -175.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.71 172.86 12.36 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.925 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.466 HD21 ' H ' ' A' ' 22' ' ' ASN . 4.6 m-80 -45.72 119.67 4.75 Favored Pre-proline 0 CA--C 1.6 2.877 0 O-C-N 123.751 0.657 . . . . 0.0 110.238 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.88 -16.84 41.66 Favored 'Trans proline' 0 N--CA 1.524 3.298 0 C-N-CA 122.572 2.181 . . . . 0.0 112.053 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -89.58 -4.86 57.66 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 123.725 0.64 . . . . 0.0 111.224 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.54 151.92 42.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -93.09 169.17 10.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.05 -44.08 97.93 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 123.644 0.59 . . . . 0.0 110.997 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -58.29 -37.56 75.28 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.65 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -72.2 -44.95 62.21 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 122.299 0.239 . . . . 0.0 110.874 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.61 -46.02 80.91 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-O 121.133 0.492 . . . . 0.0 110.896 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.45 -40.42 93.22 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.537 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.11 81.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.67 -44.15 64.79 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.676 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -94.76 1.66 55.46 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.727 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.72 -35.68 44.01 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 122.777 0.431 . . . . 0.0 110.563 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.77 -11.92 60.0 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.544 0.527 . . . . 0.0 110.784 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.03 142.73 55.8 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -66.79 -33.03 74.73 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.198 0.599 . . . . 0.0 111.534 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -66.29 -25.47 66.87 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.77 -52.13 33.7 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.433 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -76.14 -15.31 60.1 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.26 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.16 82.93 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.014 0.526 . . . . 0.0 109.687 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.7 mt -86.08 119.22 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.71 -44.29 64.43 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.162 0.506 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -80.65 106.46 12.68 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.5 ptm -66.49 -26.57 67.24 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.568 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.82 -39.3 93.89 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.9 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.22 -37.53 87.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -65.91 -41.06 91.94 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.0 -42.86 94.09 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.05 87.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.49 -42.44 98.53 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.717 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.43 -48.26 82.32 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.332 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.62 -41.8 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.646 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.4 -40.21 77.5 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.94 -48.71 79.21 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.17 -44.91 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.104 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.19 94.61 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.76 58.73 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.29 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.83 82.65 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.339 0.59 . . . . 0.0 110.632 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt 49.06 20.93 0.43 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.196 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.77 -46.22 89.86 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.65 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.94 99.15 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -65.9 -43.31 88.59 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.179 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -66.6 -40.3 88.81 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.95 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -62.62 -38.65 91.07 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.49 -46.97 86.04 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.174 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.4 -43.01 99.84 Favored 'General case' 0 N--CA 1.506 2.327 0 C-N-CA 123.186 0.594 . . . . 0.0 111.216 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.01 -40.0 91.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.643 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.2 tpt -68.64 -45.9 70.6 Favored 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.94 -43.36 99.0 Favored 'General case' 0 N--CA 1.512 2.66 0 C-N-CA 123.435 0.694 . . . . 0.0 112.6 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -37.62 74.99 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -80.44 -21.89 41.69 Favored 'General case' 0 N--CA 1.507 2.378 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.69 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.1 7.71 33.64 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.0 tppp? -23.58 117.83 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 123.967 0.792 . . . . 0.0 109.556 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.28 173.2 11.98 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.172 0.92 . . . . 0.0 109.45 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -45.96 120.43 5.34 Favored Pre-proline 0 CA--C 1.597 2.788 0 O-C-N 123.766 0.667 . . . . 0.0 110.159 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.26 -17.03 40.02 Favored 'Trans proline' 0 N--CA 1.52 3.037 0 C-N-CA 122.567 2.178 . . . . 0.0 112.04 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -88.64 -6.31 57.59 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 123.502 0.501 . . . . 0.0 111.119 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 151.32 45.11 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -94.38 169.72 10.01 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.07 -43.39 98.96 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.889 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.09 -38.96 77.39 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.499 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.61 -44.38 64.53 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.27 -45.54 84.07 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.97 -39.79 90.69 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.219 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.64 79.92 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.19 -43.44 64.5 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.244 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -94.54 2.58 55.67 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 123.118 0.261 . . . . 0.0 110.881 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.97 -38.7 57.54 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.608 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -78.04 -13.34 59.91 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.51 0.506 . . . . 0.0 110.656 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.46 140.74 58.9 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.38 -33.86 76.83 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.822 0.449 . . . . 0.0 111.142 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -68.67 -23.37 64.4 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.19 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 72.6 t80 -70.82 -53.07 16.68 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.23 -16.46 61.41 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.792 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.5 75.19 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.026 0.53 . . . . 0.0 109.983 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 mm -91.47 118.88 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -69.26 -43.14 74.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.832 0.853 . . . . 0.0 110.592 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -84.32 134.67 34.5 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.411 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 15.0 ptt? -94.19 -24.76 17.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.996 0.919 . . . . 0.0 109.333 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -63.99 -40.08 95.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.191 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' O ' HD23 ' A' ' 52' ' ' LEU . 37.2 t70 -64.42 -39.54 94.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 40' ' ' PHE . 86.5 mtm180 -65.5 -38.93 91.14 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.453 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.02 -41.84 97.32 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.86 83.73 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 120.986 0.422 . . . . 0.0 110.553 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 48' ' ' ASP . 4.5 mm? -64.56 -41.4 96.33 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.038 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.2 -47.65 84.52 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.692 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.24 -41.64 98.6 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.88 -40.74 79.05 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.54 -48.57 80.44 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.723 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.13 -45.26 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.88 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.85 63.44 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.912 0.485 . . . . 0.0 111.412 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.95 90.42 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.662 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 CA--C 1.563 1.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.493 -179.378 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.6 mpt? 39.84 34.4 0.17 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.108 0.48 . . . . 0.0 110.544 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.63 -38.51 90.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.188 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.52 94.93 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.257 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.82 -42.45 90.58 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.45 -35.22 79.72 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.481 0.657 . . . . 0.0 110.24 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -70.82 -35.44 72.5 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.203 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.71 -52.66 59.53 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.183 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -61.83 -39.32 91.4 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 122.133 0.968 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.94 -40.34 92.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.505 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.35 -43.86 69.33 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.52 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mmm -62.91 -42.69 99.88 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.4 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.49 -36.39 76.48 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.555 0.693 . . . . 0.0 109.98 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.1 -21.05 36.96 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.11 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.51 11.16 24.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 18.1 tptm -23.57 118.16 0.04 OUTLIER 'General case' 0 C--N 1.364 1.211 0 O-C-N 124.062 0.851 . . . . 0.0 109.502 -174.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -135.51 173.71 11.42 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -46.41 116.78 3.86 Favored Pre-proline 0 CA--C 1.575 1.939 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.298 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.68 -18.53 37.33 Favored 'Trans proline' 0 N--CA 1.508 2.382 0 C-N-CA 122.501 2.134 . . . . 0.0 112.381 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -88.67 -4.53 58.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.404 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.34 152.89 41.79 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -90.96 163.3 14.4 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.24 -45.35 94.91 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 29' ' ' GLU . 76.3 p -60.2 -36.88 78.64 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 -178.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' HG ' ' A' ' 28' ' ' SER . 82.2 tt0 -71.34 -46.57 60.23 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.108 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.72 -45.14 83.84 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.257 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -62.56 -41.77 99.12 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.058 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.17 79.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.197 0.522 . . . . 0.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -70.96 -44.24 66.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.809 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.05 3.79 49.31 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.725 0.41 . . . . 0.0 110.215 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.21 -34.09 43.97 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.396 0.435 . . . . 0.0 110.081 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.46 -11.69 59.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.646 0.591 . . . . 0.0 110.869 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.68 140.7 55.44 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.34 -32.97 74.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.122 0.569 . . . . 0.0 110.592 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.24 -24.75 68.01 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.68 -47.01 64.75 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 121.692 0.758 . . . . 0.0 109.849 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -76.64 -12.21 59.97 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.588 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.66 87.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.41 117.87 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.14 -42.92 75.35 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.003 0.814 . . . . 0.0 110.945 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.39 133.56 35.91 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.833 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -94.51 -22.01 18.51 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -39.54 94.05 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.269 0.556 . . . . 0.0 110.802 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.7 -35.8 82.23 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.789 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.2 -41.56 94.4 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.72 -42.76 97.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.23 81.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.248 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.54 -43.4 97.21 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.078 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.73 -47.72 83.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.053 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.8 -41.52 97.86 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.875 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -69.87 -39.66 76.19 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.032 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.47 -48.84 79.28 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.403 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -64.2 -45.26 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.152 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.16 93.39 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.743 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.17 57.44 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.504 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt 46.78 23.06 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.689 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.06 -44.81 91.88 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.141 -177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.34 74.21 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.43 -40.84 93.78 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.997 0.519 . . . . 0.0 111.286 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.37 -39.69 94.37 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.54 62.33 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.586 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -69.52 -54.76 12.62 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -61.02 -44.16 97.82 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.572 0.701 . . . . 0.0 110.458 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.23 -42.13 94.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.88 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.88 -44.31 97.27 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 123.709 0.63 . . . . 0.0 109.588 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.9 mmm -61.95 -39.59 92.64 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 122.907 0.483 . . . . 0.0 112.059 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.32 -53.68 40.24 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.968 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.41 -19.45 61.59 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.499 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.08 6.1 34.32 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.3 tptp -23.71 117.11 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 124.214 0.946 . . . . 0.0 109.167 -174.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -134.82 172.72 12.58 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.021 0.826 . . . . 0.0 109.338 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -47.16 120.89 6.98 Favored Pre-proline 0 CA--C 1.606 3.105 0 O-C-N 123.67 0.606 . . . . 0.0 110.356 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.88 -19.04 40.98 Favored 'Trans proline' 0 N--CA 1.535 3.963 0 C-N-CA 122.602 2.201 . . . . 0.0 112.705 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -88.69 -4.89 58.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 123.912 0.757 . . . . 0.0 111.387 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.51 154.75 41.55 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 m -97.91 164.85 12.2 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -60.58 -44.17 96.5 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.794 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -58.97 -41.13 86.81 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -70.06 -46.55 64.72 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.002 0.429 . . . . 0.0 110.58 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -64.16 -45.24 89.33 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.96 -39.66 93.82 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.197 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.76 76.16 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.29 -45.05 63.98 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.586 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.82 2.41 55.47 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 122.835 0.454 . . . . 0.0 110.807 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.23 -36.37 52.15 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 122.868 0.467 . . . . 0.0 110.686 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.78 -13.31 59.88 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.711 0.632 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.64 134.52 51.29 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -64.12 -26.72 68.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.215 0.531 . . . . 0.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -69.36 -27.48 65.37 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 124.375 1.07 . . . . 0.0 110.956 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.41 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 77.7 t80 -69.71 -47.73 62.08 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-O 121.388 0.613 . . . . 0.0 109.354 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -74.9 -13.97 60.6 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.26 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.53 81.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.232 0.613 . . . . 0.0 109.632 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.62 120.98 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.61 -45.76 20.88 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.412 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -72.27 124.75 25.72 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.027 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.434 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 27.2 ttt -80.41 -37.07 32.87 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.465 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.81 -37.35 84.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.332 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.18 -39.78 94.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.822 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.1 mtm180 -65.25 -43.46 91.26 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.19 -42.88 93.16 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.59 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.0 -42.36 99.82 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.071 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.28 -46.42 89.91 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.87 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.52 -41.5 98.89 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.981 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.91 -40.28 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.073 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.25 -49.38 77.34 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.597 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.08 -45.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 123.322 0.389 . . . . 0.0 110.006 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.01 95.54 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.579 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.78 67.04 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 122.975 0.51 . . . . 0.0 111.439 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.08 92.03 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.489 1.511 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.94 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 5' ' ' ILE . 66.4 mt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.784 0.802 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 47.34 20.12 0.15 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.505 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.71 -47.57 85.1 Favored 'General case' 0 C--N 1.376 1.752 0 C-N-CA 122.719 0.407 . . . . 0.0 110.58 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.14 99.55 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.799 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.77 -44.29 86.27 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -64.77 -40.69 95.69 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.88 -47.66 82.35 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -42.25 99.61 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 120.854 0.359 . . . . 0.0 110.781 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.14 -40.81 91.11 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.539 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 tpt -66.15 -45.04 82.42 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mmm -63.71 -43.45 96.53 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.1 -29.11 65.99 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -91.21 -18.48 24.36 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 123.202 0.601 . . . . 0.0 110.974 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.73 11.73 21.37 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 118.839 -0.601 . . . . 0.0 110.374 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.4 mmtt -24.17 116.14 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.873 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 124.576 1.172 . . . . 0.0 108.599 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.31 121.48 11.31 Favored Pre-proline 0 CA--C 1.606 3.115 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.424 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.6 -15.92 41.89 Favored 'Trans proline' 0 N--CA 1.528 3.501 0 C-N-CA 122.286 1.991 . . . . 0.0 112.298 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -90.86 -4.29 56.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.6 0.563 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 153.11 42.56 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -97.64 168.34 10.41 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.932 0.77 . . . . 0.0 109.104 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.51 -43.87 96.62 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.061 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -57.59 -42.04 82.39 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.448 0.299 . . . . 0.0 110.93 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.26 -45.23 66.85 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 120.69 0.281 . . . . 0.0 111.057 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -65.99 -44.76 83.91 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.062 0.458 . . . . 0.0 111.224 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.89 -39.97 91.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.325 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.36 77.08 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.44 -43.34 63.93 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.453 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -95.43 1.96 54.33 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 122.566 0.346 . . . . 0.0 110.936 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -35.38 49.7 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 122.523 0.329 . . . . 0.0 110.561 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.12 -11.87 59.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.268 0.355 . . . . 0.0 110.814 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.0 137.67 57.27 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -62.27 -33.43 74.61 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.363 0.602 . . . . 0.0 111.375 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -24.59 64.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.76 -52.27 32.23 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -73.57 -16.03 61.27 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.209 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.64 78.13 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.2 mt -89.25 119.05 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.54 -43.82 68.75 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.04 0.936 . . . . 0.0 110.869 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.36 111.65 16.96 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.359 0.6 . . . . 0.0 112.048 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.9 -33.52 75.77 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.869 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.86 -38.66 89.11 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.08 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.54 -43.1 95.06 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.632 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.21 -42.19 93.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.69 89.27 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.151 0.5 . . . . 0.0 110.347 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.44 -42.3 98.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.66 -47.92 84.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -62.81 -41.54 99.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.11 -40.85 82.45 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.879 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.97 -48.09 81.92 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.783 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.64 -45.09 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.43 92.29 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.18 64.47 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.439 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.54 90.63 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 63.5 mt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.4 mtt 43.61 26.99 0.14 Allowed 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.54 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.83 -39.93 78.81 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.925 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.77 91.07 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.27 -43.15 92.15 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.447 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.34 -42.45 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.65 -37.26 85.66 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.189 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.69 -48.59 76.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.652 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.87 -42.21 97.58 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 122.66 0.384 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.36 -41.39 93.58 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.314 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.85 -44.98 83.85 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.395 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.7 -43.12 99.63 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.23 -38.67 75.26 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.066 0.46 . . . . 0.0 109.999 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.1 -25.48 43.03 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.397 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -86.49 10.85 14.02 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ALA . 40.0 tptt -24.94 116.13 0.05 OUTLIER 'General case' 0 C--N 1.397 2.665 0 O-C-N 124.015 0.822 . . . . 0.0 109.404 -174.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -133.83 171.83 13.63 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 124.523 1.139 . . . . 0.0 108.862 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.89 122.27 9.13 Favored Pre-proline 0 CA--C 1.603 3.008 0 O-C-N 123.569 0.543 . . . . 0.0 110.633 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.42 -16.75 43.72 Favored 'Trans proline' 0 N--CA 1.53 3.674 0 C-N-CA 122.392 2.061 . . . . 0.0 112.263 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -89.61 -6.89 55.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 123.767 0.667 . . . . 0.0 110.993 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.54 46.28 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -95.8 169.44 10.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CD2' ' OE2' ' A' ' 50' ' ' GLU . 81.0 t80 -60.24 -43.77 95.78 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.704 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -57.85 -41.44 82.37 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.881 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.08 -45.42 67.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 120.925 0.393 . . . . 0.0 110.413 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.01 -44.16 90.12 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.498 0.666 . . . . 0.0 111.376 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.13 -38.45 88.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.325 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.59 83.83 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 123.143 0.277 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -69.57 -42.38 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.046 0.538 . . . . 0.0 111.596 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -97.1 0.96 49.4 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.67 -37.14 49.24 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.532 0.333 . . . . 0.0 110.721 -177.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -81.68 -11.17 59.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.466 0.479 . . . . 0.0 110.663 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.46 140.85 58.64 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -61.79 -34.91 76.75 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.31 -28.03 66.81 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.947 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.78 -50.75 63.57 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.168 0.509 . . . . 0.0 111.119 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -75.74 -15.91 60.21 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.019 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.58 76.09 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.7 mm -89.72 114.13 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.06 -43.56 70.94 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.592 0.757 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.13 127.25 32.95 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.955 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.8 ttp -88.08 -27.43 21.97 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -63.04 -39.27 94.23 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.51 -34.16 77.61 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -65.03 -39.3 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 27' ' ' PHE . 72.7 mm-40 -59.94 -43.39 95.0 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -51.67 68.34 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.85 -43.77 95.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.607 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.77 -49.0 79.26 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.315 0.579 . . . . 0.0 109.909 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.9 -41.57 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.674 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -68.28 -41.27 81.26 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.924 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.06 -49.26 76.68 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.99 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.22 -44.62 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.99 92.54 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.03 -40.54 68.36 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.324 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.91 91.52 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.464 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.827 0.346 . . . . 0.0 110.563 -179.436 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.6 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 48.03 20.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.399 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.18 -43.18 96.07 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.65 96.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.027 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.51 -42.08 92.45 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.09 -40.58 94.8 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.869 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -63.29 -41.29 98.97 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.575 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.75 -49.39 75.22 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' NZ ' HD22 ' A' ' 52' ' ' LEU . 43.6 mmtm -62.65 -42.53 99.65 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.492 0.663 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.53 -41.15 93.85 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.337 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.78 -42.08 86.64 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.513 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.99 -42.89 89.19 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.59 -42.46 78.19 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.218 0.532 . . . . 0.0 111.653 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -17.17 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.786 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.75 8.55 34.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 123.466 0.479 . . . . 0.0 109.973 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 19.1 tptm -22.76 118.39 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 O-C-N 124.043 0.84 . . . . 0.0 109.573 -174.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -135.23 173.37 11.79 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 123.954 0.784 . . . . 0.0 109.619 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -46.39 121.6 6.34 Favored Pre-proline 0 CA--C 1.584 2.273 0 O-C-N 123.942 0.776 . . . . 0.0 110.355 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.36 -16.72 39.41 Favored 'Trans proline' 0 N--CA 1.519 3.004 0 C-N-CA 122.382 2.055 . . . . 0.0 112.464 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -90.56 -3.12 57.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 123.641 0.588 . . . . 0.0 111.155 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.4 152.32 42.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.9 p -98.14 169.01 9.9 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 124.061 0.851 . . . . 0.0 108.74 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -60.25 -44.34 95.36 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.988 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -57.94 -39.96 79.34 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.414 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.01 -44.21 66.36 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.164 0.507 . . . . 0.0 111.044 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.68 -46.04 84.12 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.34 -38.41 90.04 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.327 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.15 83.79 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.405 0.441 . . . . 0.0 110.275 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -71.51 -43.33 66.69 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.761 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -94.4 5.13 52.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 123.498 0.499 . . . . 0.0 109.968 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.08 -39.42 59.71 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.608 0.242 . . . . 0.0 110.643 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -77.8 0.01 25.41 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.5 127.62 32.64 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.4 t -60.19 -24.24 64.63 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.027 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.44 -24.54 63.83 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.619 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.01 -47.21 60.06 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.053 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -73.62 -12.87 60.89 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.057 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.11 82.73 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.539 0.524 . . . . 0.0 109.731 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -92.21 116.11 32.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.82 -44.14 64.42 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.977 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.08 128.14 33.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.094 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 tpp -87.84 -27.61 22.13 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.909 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -62.86 -39.77 95.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.091 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.39 -37.37 87.26 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.83 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -65.65 -40.71 92.78 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -42.46 99.08 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.421 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 -46.59 88.22 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 85.7 mt -64.5 -42.89 95.55 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.438 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.21 -46.98 87.86 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.636 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.61 -40.65 97.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.39 -41.32 80.69 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.36 -48.09 82.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.85 -45.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.2 94.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.71 67.09 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.516 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.67 95.2 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.679 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 . . . . . 0 CA--C 1.551 1.006 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.683 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 5' ' ' ILE . 57.6 mt . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.4 mtm 50.07 20.55 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.936 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.1 -48.33 80.65 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.23 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.13 94.05 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.989 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.56 -42.72 91.52 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.959 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.32 -39.46 93.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -62.18 -40.13 95.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.725 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -62.03 -50.18 73.05 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.498 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.22 -42.03 99.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.806 0.812 . . . . 0.0 111.453 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.27 -40.91 87.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.247 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.5 tpt -68.65 -43.6 75.89 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mmm -61.74 -43.01 99.68 Favored 'General case' 0 N--CA 1.508 2.438 0 C-N-CA 123.338 0.655 . . . . 0.0 112.525 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.25 -38.19 78.32 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.688 0.756 . . . . 0.0 109.627 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.9 -21.65 43.71 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.641 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.18 11.26 21.55 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.2 tppp? -23.39 118.38 0.04 OUTLIER 'General case' 0 C--N 1.38 1.916 0 O-C-N 124.063 0.852 . . . . 0.0 109.651 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.15 173.67 11.46 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 123.676 0.61 . . . . 0.0 109.397 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -48.66 121.7 10.12 Favored Pre-proline 0 CA--C 1.586 2.347 0 O-C-N 124.048 0.842 . . . . 0.0 110.224 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.1 -16.71 40.55 Favored 'Trans proline' 0 N--CA 1.529 3.599 0 C-N-CA 122.153 1.902 . . . . 0.0 112.504 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -90.27 -4.01 57.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.549 0.53 . . . . 0.0 111.321 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.86 154.18 40.71 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 p -98.01 168.08 10.5 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 124.448 1.092 . . . . 0.0 108.081 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.37 -43.83 96.19 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.024 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -57.99 -42.09 84.39 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.69 -45.31 68.59 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.26 0.552 . . . . 0.0 111.268 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.29 -46.85 81.81 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.341 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.37 -38.81 91.16 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.442 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.95 80.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 123.559 0.537 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.91 -44.27 63.95 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.893 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -93.89 4.21 54.25 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.32 -38.53 53.5 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -81.46 -10.78 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.717 0.407 . . . . 0.0 111.023 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.27 133.2 47.6 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.1 m -62.56 -34.77 77.63 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 123.288 0.635 . . . . 0.0 110.465 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -63.0 -28.78 70.34 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.746 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.15 -47.12 68.93 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 121.733 0.778 . . . . 0.0 109.791 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.36 -10.47 59.14 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.493 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -35.79 81.9 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.0 mm -84.96 123.31 39.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.29 -44.66 12.66 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.535 0.734 . . . . 0.0 110.077 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.95 113.84 16.25 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.645 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -38.99 93.15 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.39 -37.71 81.64 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.131 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.96 -34.56 78.26 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.897 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.69 -42.87 99.51 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.134 0.492 . . . . 0.0 109.835 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.19 -42.44 93.6 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.747 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.3 73.95 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 121.01 0.433 . . . . 0.0 110.21 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.14 -42.43 93.84 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.489 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.92 -48.36 82.02 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.994 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.89 -40.9 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.866 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -67.25 -43.49 81.76 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.13 -48.17 82.85 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.931 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.87 -45.8 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 123.863 0.727 . . . . 0.0 110.045 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.24 96.33 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.443 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.38 67.14 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.551 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.25 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.708 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.562 -179.148 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.2 mt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt 44.39 32.04 0.67 Allowed 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 120.96 0.409 . . . . 0.0 111.054 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -60.18 -39.32 86.06 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 123.174 0.59 . . . . 0.0 111.075 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.95 83.15 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.361 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.74 -42.79 90.53 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.26 -38.76 92.43 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.246 0.546 . . . . 0.0 109.558 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -68.82 -29.93 68.38 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.247 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.12 -52.89 44.28 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -62.26 -40.59 96.73 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 123.235 0.614 . . . . 0.0 110.469 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 -43.33 98.04 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.682 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.4 tpt -67.11 -46.17 75.0 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.551 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.0 mmm -63.31 -43.5 97.65 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.38 -42.6 68.2 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.408 0.623 . . . . 0.0 110.11 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.4 -38.91 68.31 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.489 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -79.15 17.15 0.82 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 17.9 tptm -24.28 118.01 0.05 OUTLIER 'General case' 0 C--N 1.385 2.135 0 O-C-N 123.939 0.775 . . . . 0.0 109.213 -174.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -134.72 173.21 11.94 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.348 1.03 . . . . 0.0 109.089 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -48.18 121.1 8.79 Favored Pre-proline 0 CA--C 1.609 3.24 0 O-C-N 123.692 0.62 . . . . 0.0 110.36 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.35 -16.42 39.27 Favored 'Trans proline' 0 N--CA 1.526 3.437 0 C-N-CA 122.573 2.182 . . . . 0.0 111.578 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -90.18 -5.01 56.9 Favored 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 123.186 0.595 . . . . 0.0 110.945 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.59 157.09 38.6 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -100.24 165.97 11.22 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.463 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.5 -45.87 64.81 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 120.967 0.413 . . . . 0.0 110.113 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -65.19 -43.64 90.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.097 0.475 . . . . 0.0 111.141 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.26 -38.54 90.63 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.918 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.56 81.5 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 122.722 0.409 . . . . 0.0 110.386 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.68 -42.32 70.88 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.198 0.599 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.67 0.75 50.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 122.707 0.403 . . . . 0.0 110.473 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.69 -35.57 55.73 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 122.325 0.25 . . . . 0.0 110.589 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -77.69 -12.72 60.0 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.593 0.558 . . . . 0.0 110.413 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.25 142.86 56.77 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -69.99 -18.49 63.33 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.85 -24.95 60.95 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.601 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.69 -52.23 47.05 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 121.123 0.487 . . . . 0.0 110.698 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -73.74 -16.67 61.17 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.798 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.99 79.2 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.133 0.573 . . . . 0.0 109.941 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.9 115.73 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -70.15 -41.45 73.83 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.09 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -85.45 107.46 17.42 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.263 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.56 73.91 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 123.653 0.781 . . . . 0.0 109.505 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.23 -38.38 86.45 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.686 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.04 -36.8 85.51 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -64.14 -41.23 97.27 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.25 -40.74 96.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.773 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.51 70.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.07 -40.55 96.5 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.522 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.09 -46.53 89.28 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.236 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.04 -40.55 78.51 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.012 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.26 -49.33 77.51 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.558 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.76 -45.28 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.74 93.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.72 60.39 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 122.972 0.509 . . . . 0.0 111.152 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.39 88.05 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.556 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.36 0.6 . . . . 0.0 110.312 179.573 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.3 mt . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 44.43 28.01 0.27 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 121.221 0.534 . . . . 0.0 110.288 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.43 -39.34 90.43 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.691 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.54 93.85 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 123.922 0.764 . . . . 0.0 110.699 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.41 -43.39 90.71 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.037 0.535 . . . . 0.0 111.039 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.46 -42.84 95.71 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.06 -40.56 98.06 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.372 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -63.55 -50.49 69.31 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -62.11 -40.68 96.71 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-O 121.852 0.834 . . . . 0.0 110.878 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -57.83 -38.74 76.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.044 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 tpt -67.84 -43.33 79.78 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.637 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.3 mtp -61.05 -43.86 98.25 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.96 -37.71 75.88 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-O 121.209 0.528 . . . . 0.0 109.59 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -80.46 -20.6 43.4 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.634 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.82 6.18 45.39 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.2 tptp -24.19 117.47 0.05 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 O-C-N 124.19 0.931 . . . . 0.0 109.245 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -136.25 173.6 11.53 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.81 0.693 . . . . 0.0 109.385 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -45.63 120.27 4.91 Favored Pre-proline 0 CA--C 1.59 2.483 0 O-C-N 123.73 0.644 . . . . 0.0 110.552 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -17.73 42.03 Favored 'Trans proline' 0 N--CA 1.528 3.534 0 C-N-CA 122.254 1.969 . . . . 0.0 112.518 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -89.83 -5.06 57.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.652 0.595 . . . . 0.0 111.342 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 155.08 40.5 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 m -95.31 166.54 11.84 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -61.3 -43.29 99.12 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.98 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -58.49 -41.05 84.44 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.19 -45.23 70.44 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.253 0.549 . . . . 0.0 110.596 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.0 -45.81 84.03 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.358 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.69 -39.8 91.66 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.243 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.81 74.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 123.584 0.553 . . . . 0.0 109.84 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.62 -43.77 62.84 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.696 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -94.81 2.55 55.49 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 123.101 0.56 . . . . 0.0 110.544 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.49 -38.37 59.31 Favored 'General case' 0 N--CA 1.503 2.175 0 C-N-CA 122.846 0.458 . . . . 0.0 110.928 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.06 -13.53 59.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.66 141.48 58.76 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.97 -35.38 81.01 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.317 0.647 . . . . 0.0 111.396 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.55 -25.43 66.65 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.411 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.65 -51.54 40.92 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.969 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -75.3 -15.68 60.49 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.35 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.87 82.01 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.22 119.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.34 -44.91 61.94 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.353 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.31 124.24 27.87 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.429 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -82.97 -25.79 31.95 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -64.37 -39.07 93.15 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.92 -37.72 88.57 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.639 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -66.15 -41.44 90.42 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 121.164 0.507 . . . . 0.0 110.097 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.21 -42.68 96.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.213 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.8 83.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -63.03 -44.15 96.74 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.907 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.21 -47.92 83.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.149 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -61.62 -43.43 98.87 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.906 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.79 -38.52 76.7 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.715 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -61.07 -48.71 80.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -64.09 -45.62 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 123.528 0.518 . . . . 0.0 110.219 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.68 96.5 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.725 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.71 61.2 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.475 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.19 86.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.617 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.765 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 47.17 19.85 0.12 Allowed 'General case' 0 C--N 1.389 2.286 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.13 -48.78 78.61 Favored 'General case' 0 C--N 1.369 1.446 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.76 88.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.762 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.41 -41.69 93.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.891 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -65.91 -39.11 90.28 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.827 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -62.17 -38.62 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.074 0.859 . . . . 0.0 109.391 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.27 -50.18 72.73 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.511 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.24 -41.09 99.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.577 0.704 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.67 -39.95 82.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.019 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.54 -44.16 71.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -44.11 97.9 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.36 -37.47 77.64 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.133 0.492 . . . . 0.0 109.956 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.98 -20.54 41.66 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.348 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.24 9.37 28.88 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 19' ' ' ALA . 41.0 tptt -22.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.288 0 O-C-N 124.05 0.844 . . . . 0.0 109.431 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -135.39 173.7 11.43 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.527 1.142 . . . . 0.0 109.862 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -49.8 123.32 14.84 Favored Pre-proline 0 CA--C 1.597 2.774 0 O-C-N 123.865 0.728 . . . . 0.0 110.385 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.09 -16.68 40.57 Favored 'Trans proline' 0 N--CA 1.521 3.124 0 C-N-CA 122.347 2.031 . . . . 0.0 112.393 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -90.24 -4.2 57.34 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 123.674 0.609 . . . . 0.0 111.228 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.27 152.66 43.07 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.8 p -97.57 165.62 11.9 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.99 -44.05 97.98 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.043 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -59.2 -39.32 82.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.313 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -70.51 -45.98 64.55 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.124 0.488 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.49 -44.87 89.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.16 -39.3 92.75 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.354 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.22 79.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.361 0.413 . . . . 0.0 109.969 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.38 -43.35 67.05 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.86 3.61 54.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.439 0.462 . . . . 0.0 110.339 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.71 -35.77 56.24 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 122.574 0.349 . . . . 0.0 110.58 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -78.82 -11.98 60.01 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.45 139.81 57.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.53 -21.58 66.72 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.126 0.488 . . . . 0.0 111.857 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -70.34 -24.53 63.01 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.426 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -70.28 -52.39 23.29 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.434 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.89 -15.27 60.71 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.105 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.5 77.86 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.153 0.581 . . . . 0.0 109.57 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 mm -95.72 119.68 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -70.33 -41.56 73.07 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.098 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.92 108.31 20.68 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.746 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.56 -10.27 59.51 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -65.26 -40.93 94.61 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.205 0.526 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.11 -36.87 85.65 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -65.15 -41.74 94.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.79 -43.32 96.67 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.9 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.409 0.624 . . . . 0.0 110.484 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.56 -42.71 95.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.93 -47.59 85.17 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.754 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.45 -40.76 97.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -68.58 -41.03 80.24 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.313 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.47 -48.66 80.12 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.189 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.51 95.15 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.527 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.38 -41.72 66.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.554 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.98 93.71 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.825 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 N--CA 1.489 1.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.628 -179.314 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 5' ' ' ILE . 55.9 mt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 43.88 32.35 0.6 Allowed 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 121.134 0.492 . . . . 0.0 111.066 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -64.37 -41.38 96.74 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.741 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -49.04 78.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.08 -42.35 89.5 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.328 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.69 -39.51 93.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.295 0.569 . . . . 0.0 109.506 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -63.52 -35.03 79.11 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.65 -50.27 69.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.33 -40.99 98.84 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.417 0.627 . . . . 0.0 110.64 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.04 -42.69 94.98 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.06 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.25 -46.13 71.31 Favored 'General case' 0 CA--C 1.568 1.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.77 -42.67 99.8 Favored 'General case' 0 N--CA 1.509 2.521 0 C-N-CA 123.309 0.644 . . . . 0.0 112.576 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.78 -38.72 76.78 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.67 -23.83 42.2 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.672 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.98 6.88 33.78 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.7 tptt -24.65 117.11 0.05 Allowed 'General case' 0 C--N 1.396 2.596 0 O-C-N 124.287 0.992 . . . . 0.0 109.256 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -134.85 173.22 11.95 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.951 0.782 . . . . 0.0 109.42 -176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.88 119.98 4.06 Favored Pre-proline 0 CA--C 1.6 2.886 0 O-C-N 123.766 0.666 . . . . 0.0 110.514 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.79 -17.61 42.06 Favored 'Trans proline' 0 N--CA 1.528 3.546 0 C-N-CA 122.353 2.035 . . . . 0.0 112.168 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -88.8 -6.61 57.26 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.564 0.54 . . . . 0.0 111.058 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 152.81 42.25 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -94.87 168.42 10.81 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.006 0.816 . . . . 0.0 108.86 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -60.59 -42.76 97.38 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.707 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.6 t -58.51 -42.25 87.26 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.471 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.58 -45.0 73.2 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.582 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -64.73 -45.01 88.33 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.131 0.491 . . . . 0.0 110.978 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.46 -38.22 89.19 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.368 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.33 79.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.262 0.351 . . . . 0.0 110.198 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.6 -42.59 70.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 122.701 0.4 . . . . 0.0 111.479 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -95.26 1.2 54.47 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 122.499 0.32 . . . . 0.0 110.585 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.13 -39.04 63.18 Favored 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 122.665 0.386 . . . . 0.0 110.549 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -77.18 -14.59 59.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.089 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.61 139.3 58.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.4 t -62.43 -22.06 65.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.087 0.47 . . . . 0.0 111.042 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -69.81 -25.79 63.94 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.08 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -68.09 -51.59 44.68 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 121.057 0.455 . . . . 0.0 111.104 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -76.46 -14.87 60.02 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.628 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.43 80.6 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.146 0.578 . . . . 0.0 109.901 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.12 117.17 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.65 -43.34 69.39 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.79 0.836 . . . . 0.0 110.569 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -91.87 107.33 19.13 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.502 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.4 mtt -72.41 -11.25 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.323 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.71 -41.33 92.41 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -34.65 78.74 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -65.15 -42.55 93.65 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.48 -44.5 86.9 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.55 77.08 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.224 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.01 -42.3 99.8 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.763 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -58.17 -46.68 85.32 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.07 -41.54 98.27 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.09 -40.26 78.52 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.55 -49.04 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.662 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.7 t -64.32 -45.2 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.61 95.36 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.03 62.4 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.681 0.393 . . . . 0.0 111.325 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.67 91.47 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.709 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.6 mt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 44.85 26.07 0.18 Allowed 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.337 0.589 . . . . 0.0 110.054 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -59.93 -41.83 92.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.424 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.39 98.95 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.091 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -65.38 -44.73 86.62 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.289 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -66.0 -41.09 91.5 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.446 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.1 -39.21 91.7 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.2 -48.76 76.94 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.125 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.21 -42.56 99.41 Favored 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.374 0.607 . . . . 0.0 111.619 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.07 -39.3 85.56 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.339 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.68 -44.51 90.09 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.0 mtp -63.99 -43.17 96.53 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 17.4 pt-20 -68.45 -32.46 72.49 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.7 -19.32 26.29 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 123.174 0.59 . . . . 0.0 111.065 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -93.17 10.39 31.95 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.36 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ALA . 53.0 mtmt -26.29 119.79 0.08 Allowed 'General case' 0 C--N 1.416 3.493 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -173.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -133.73 172.56 12.6 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.45 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -47.18 120.89 7.01 Favored Pre-proline 0 CA--C 1.605 3.079 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.561 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.25 -17.03 44.86 Favored 'Trans proline' 0 N--CA 1.53 3.661 0 C-N-CA 122.372 2.048 . . . . 0.0 112.243 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -89.62 -5.37 57.21 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.5 0.5 . . . . 0.0 111.028 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 151.86 43.64 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -96.46 169.24 10.05 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.058 0.849 . . . . 0.0 108.907 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.46 -44.1 93.05 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.531 0.732 . . . . 0.0 110.597 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -58.05 -43.27 86.78 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.675 0.39 . . . . 0.0 111.076 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.55 -45.42 68.79 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.01 -45.68 84.53 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.211 0.529 . . . . 0.0 111.103 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.25 -39.93 89.83 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.86 73.49 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -73.45 -43.69 59.77 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.99 1.64 55.23 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 122.54 0.336 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.91 -36.82 50.22 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 122.866 0.466 . . . . 0.0 110.225 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -81.12 -12.08 59.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.433 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.93 140.12 58.31 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -65.06 -33.49 76.15 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.49 0.662 . . . . 0.0 111.249 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 -25.21 63.44 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.996 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -69.17 -51.96 32.89 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 120.924 0.392 . . . . 0.0 110.731 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -72.69 -14.64 61.62 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.655 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.15 79.03 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.308 0.643 . . . . 0.0 109.469 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.2 mt -79.92 123.72 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 pm0 -80.97 -44.17 18.57 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.413 0.685 . . . . 0.0 109.538 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.2 108.91 9.45 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.859 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.4 ttp -64.94 -36.85 85.7 Favored 'General case' 0 CA--C 1.57 1.741 0 CA-C-O 121.386 0.613 . . . . 0.0 110.181 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.26 -37.31 82.64 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.921 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -35.29 80.59 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -43.68 98.44 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.368 1.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.533 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.73 74.78 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.837 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.31 -41.99 96.57 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.764 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.6 -47.89 84.2 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.177 0.513 . . . . 0.0 110.078 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.15 -41.3 99.24 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.783 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.31 -42.29 79.61 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.78 -48.18 81.81 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.503 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -44.79 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.54 93.54 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.783 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.14 57.41 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.73 87.97 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 122.582 0.353 . . . . 0.0 110.4 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.516 0.674 . . . . 0.0 110.524 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.245 0.826 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 81.4 mtp 38.16 25.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.033 0.533 . . . . 0.0 111.947 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.209 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.49 95.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.118 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -65.4 -43.07 91.76 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.652 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -65.61 -39.19 91.26 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.09 -37.91 89.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.353 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.91 -48.24 81.35 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.857 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.02 -41.61 99.59 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 121.616 0.722 . . . . 0.0 111.024 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.81 -39.06 87.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.0 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 tpt -69.96 -43.79 70.81 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.32 -41.37 96.85 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.09 -42.93 83.79 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.03 0.443 . . . . 0.0 111.595 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.45 -16.78 53.58 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.042 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.66 4.92 47.98 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.917 0.487 . . . . 0.0 109.711 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.0 tptp -23.91 118.44 0.04 OUTLIER 'General case' 0 C--N 1.376 1.745 0 O-C-N 124.354 1.034 . . . . 0.0 109.568 -173.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.54 173.27 11.9 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 123.819 0.699 . . . . 0.0 109.345 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.81 119.84 3.97 Favored Pre-proline 0 CA--C 1.582 2.205 0 O-C-N 124.016 0.823 . . . . 0.0 110.319 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -69.12 -17.4 40.48 Favored 'Trans proline' 0 N--CA 1.52 3.044 0 C-N-CA 122.171 1.914 . . . . 0.0 112.541 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.36 -5.78 57.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.733 0.645 . . . . 0.0 111.376 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 150.67 44.02 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -93.66 169.28 10.45 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.78 -42.64 97.94 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.754 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -58.38 -42.2 86.53 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.545 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -69.01 -44.86 71.92 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.982 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.68 -46.44 82.4 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.047 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.06 -39.64 93.57 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.199 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.33 79.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.618 0.574 . . . . 0.0 109.948 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.35 -44.11 65.69 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.839 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.94 3.19 55.24 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 123.587 0.555 . . . . 0.0 110.279 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.48 -36.83 55.88 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 120.77 0.319 . . . . 0.0 110.686 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.51 -13.31 60.1 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.076 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.7 140.65 58.89 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -68.08 -27.82 66.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.029 0.443 . . . . 0.0 111.396 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -70.65 -23.0 62.44 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.7 -53.07 24.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.079 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -74.68 -15.36 60.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.938 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.89 85.42 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.72 121.75 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -73.79 -45.34 52.15 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 123.523 0.729 . . . . 0.0 111.549 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.92 107.44 12.7 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.554 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.478 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 48.9 ttp -67.69 -35.33 78.63 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.123 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -59.27 -37.04 76.64 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.866 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.46 -39.01 93.33 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.631 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.2 mtm180 -64.53 -39.45 93.79 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.281 0.562 . . . . 0.0 110.823 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.62 -41.53 98.27 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.789 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.61 86.83 Favored 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.215 0.531 . . . . 0.0 110.057 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.12 -42.27 96.91 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.736 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.83 -48.06 82.65 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.926 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.7 -41.44 99.12 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.211 0.529 . . . . 0.0 110.024 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.88 -41.12 78.75 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.25 -48.29 82.11 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.582 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.21 -45.31 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.46 95.44 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.567 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.77 64.58 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.381 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.63 87.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.762 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.482 1.148 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.445 -179.065 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 mmt 44.02 31.48 0.53 Allowed 'General case' 0 N--CA 1.508 2.434 0 CA-C-O 120.938 0.399 . . . . 0.0 111.244 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.13 -41.56 96.95 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.966 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.51 73.81 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.494 0.317 . . . . 0.0 110.818 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -65.37 -41.65 93.57 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.715 0.406 . . . . 0.0 111.011 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.02 -43.52 95.37 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -63.2 -39.23 94.06 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.942 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -64.13 -50.62 67.52 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.36 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.19 -43.25 98.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.132 0.492 . . . . 0.0 110.512 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.61 -43.39 97.51 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.196 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.1 tpt -66.39 -43.31 86.21 Favored 'General case' 0 CA--C 1.576 1.974 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.975 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.2 mmm -65.17 -41.97 94.13 Favored 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -68.45 -39.25 81.52 Favored 'General case' 0 N--CA 1.512 2.641 0 O-C-N 122.203 -0.311 . . . . 0.0 111.085 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -16.07 41.01 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.175 0.59 . . . . 0.0 111.399 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.31 15.46 10.47 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.5 mmtt -23.66 116.08 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.232 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -175.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -132.88 169.95 16.03 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.681 1.238 . . . . 0.0 108.363 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -50.61 121.52 14.66 Favored Pre-proline 0 CA--C 1.604 3.048 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.346 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.09 -16.7 45.17 Favored 'Trans proline' 0 N--CA 1.532 3.762 0 C-N-CA 122.332 2.021 . . . . 0.0 112.143 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.12 -6.41 55.44 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 123.705 0.628 . . . . 0.0 111.196 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 156.12 39.86 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 m -97.27 164.99 12.25 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -60.59 -42.75 97.35 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.465 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.7 t -58.65 -41.74 86.77 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.839 0.456 . . . . 0.0 110.783 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.75 -43.78 79.1 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 120.945 0.403 . . . . 0.0 110.087 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.43 -45.1 85.2 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 121.211 0.529 . . . . 0.0 110.951 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.88 -38.65 89.35 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.735 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.36 84.75 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.033 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -71.03 -43.38 68.02 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.022 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -92.81 3.95 54.72 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 122.462 0.305 . . . . 0.0 110.897 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -40.64 61.95 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 122.586 0.355 . . . . 0.0 110.677 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -79.38 0.22 30.05 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.785 0.434 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -82.72 124.93 30.69 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.9 p -57.45 -27.93 62.89 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.718 0.407 . . . . 0.0 110.499 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -64.95 -28.2 69.36 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 44.2 t80 -68.43 -45.13 73.38 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.433 0.635 . . . . 0.0 110.012 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.61 -11.42 60.64 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.513 -1.222 . . . . 0.0 111.158 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.1 90.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.024 0.53 . . . . 0.0 110.487 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 43' ' ' ILE . 3.1 mp -85.36 129.09 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -87.31 -44.01 11.73 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.356 0.598 . . . . 0.0 109.514 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.4 141.83 41.3 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.139 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -103.07 -26.38 13.07 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 123.803 0.841 . . . . 0.0 110.239 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.3 -35.24 80.41 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' NH1' ' CE2' ' A' ' 40' ' ' PHE . 78.3 mtt180 -64.49 -44.9 89.51 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.53 -43.93 88.46 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.612 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.77 75.04 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.081 0.467 . . . . 0.0 110.334 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.0 -42.67 97.09 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.52 -46.72 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.959 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.07 -41.42 98.15 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.259 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.98 -40.19 83.17 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.88 -48.09 82.08 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.821 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.71 -44.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.14 93.29 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.61 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.93 -41.58 61.86 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.852 0.461 . . . . 0.0 111.534 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.18 90.23 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.907 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.74 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.243 0.754 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.8 mtt 46.32 21.52 0.12 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.704 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.83 -45.22 93.61 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.882 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.22 87.04 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.13 -43.39 95.39 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.312 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.79 -43.24 93.84 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.649 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.43 94.81 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.124 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -64.28 -49.7 70.82 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.822 0.82 . . . . 0.0 110.276 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.24 -44.07 97.4 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.926 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.32 -36.5 75.76 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.639 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 tpt -70.85 -43.17 69.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.1 mmm -61.64 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.411 -176.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.62 -35.72 75.52 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.114 0.483 . . . . 0.0 110.638 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.8 -17.92 45.89 Favored 'General case' 0 C--N 1.367 1.351 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.379 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.54 5.91 50.32 Favored 'General case' 0 CA--C 1.491 -1.322 0 O-C-N 124.651 1.219 . . . . 0.0 109.538 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 19' ' ' ALA . 36.9 ttpt -25.82 120.45 0.07 Allowed 'General case' 0 C--N 1.362 1.141 0 O-C-N 124.189 0.931 . . . . 0.0 110.743 -175.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -135.85 172.69 12.64 Favored 'General case' 0 CA--C 1.481 -1.688 0 O-C-N 124.538 1.149 . . . . 0.0 109.77 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.9 m-80 -43.38 108.59 0.69 Allowed Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 125.113 1.508 . . . . 0.0 109.05 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.44 -31.9 92.55 Favored 'Trans proline' 0 N--CA 1.532 3.79 0 C-N-CA 122.584 2.189 . . . . 0.0 113.3 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -74.31 -5.16 40.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.358 1.036 . . . . 0.0 111.803 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 160.15 30.25 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.0 p -98.84 166.99 11.04 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 124.533 1.146 . . . . 0.0 108.714 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.96 -44.51 97.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.489 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -56.08 -41.0 74.44 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.262 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.31 -44.47 71.69 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.56 0.695 . . . . 0.0 110.969 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.52 -46.33 83.4 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.09 -39.52 94.23 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.23 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.93 77.99 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 123.459 0.474 . . . . 0.0 110.382 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -72.71 -41.82 64.83 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 123.585 0.553 . . . . 0.0 111.833 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.12 2.72 53.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 124.337 1.023 . . . . 0.0 110.03 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.71 -37.6 51.57 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.522 0.329 . . . . 0.0 110.178 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.15 -10.4 59.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.44 141.82 57.79 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -67.01 -30.78 70.98 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.329 0.585 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -68.94 -21.49 64.19 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.177 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.53 -52.32 18.87 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 124.14 0.9 . . . . 0.0 110.949 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.72 -12.94 60.06 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.752 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -35.99 82.1 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' LYS . 71.5 mt -92.33 123.05 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -71.91 -45.97 59.32 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.203 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 43' ' ' ILE . 68.5 mttm -79.68 135.07 36.45 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.254 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.414 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 14.2 ptt? -97.35 -23.48 16.09 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.218 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -63.4 -40.2 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 122.625 0.37 . . . . 0.0 111.409 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.61 -38.49 90.4 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.142 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 78.9 mtm180 -65.95 -40.42 91.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.357 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.03 -42.4 94.39 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.284 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.01 91.32 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.522 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -58.21 -47.42 83.55 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.431 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.92 -42.11 98.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.915 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.5 -39.4 77.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.422 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.32 -48.0 83.37 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.38 -45.75 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.977 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.63 94.79 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.16 -42.66 59.58 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.568 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.91 89.96 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.352 0.703 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.737 -178.868 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 5' ' ' ILE . 50.1 mt . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 46.76 27.92 0.74 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -62.67 -40.87 98.43 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.398 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.24 81.95 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.838 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.17 -41.16 94.9 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.962 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.4 -43.43 94.44 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.539 0.685 . . . . 0.0 109.792 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.75 -38.46 91.17 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.819 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -62.86 -49.68 73.9 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.9 -41.77 99.55 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-O 121.56 0.695 . . . . 0.0 111.019 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.35 -41.25 88.75 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.513 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.9 ttp -68.1 -44.68 75.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.738 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mmm -62.16 -43.52 98.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.25 -37.7 78.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.306 0.574 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.01 -20.94 44.22 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.303 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.63 12.47 18.84 Favored 'General case' 0 CA--C 1.496 -1.125 0 O-C-N 123.837 0.711 . . . . 0.0 109.772 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 19' ' ' ALA . 5.3 tppt? -23.07 118.26 0.04 OUTLIER 'General case' 0 C--N 1.372 1.586 0 O-C-N 124.129 0.893 . . . . 0.0 110.492 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.62 173.94 11.16 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.266 0.978 . . . . 0.0 109.342 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -49.05 121.92 11.07 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 124.999 1.437 . . . . 0.0 110.109 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -69.04 -16.56 40.71 Favored 'Trans proline' 0 N--CA 1.528 3.538 0 C-N-CA 122.251 1.967 . . . . 0.0 112.736 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -91.06 -2.21 57.67 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.931 0.77 . . . . 0.0 111.777 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.26 155.93 37.75 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -99.47 167.61 10.51 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.518 1.136 . . . . 0.0 108.105 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.74 -44.63 96.44 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.237 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 m -56.42 -40.65 75.06 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.79 -45.66 64.29 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.303 0.573 . . . . 0.0 111.434 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.68 -46.61 81.69 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.383 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.56 -39.38 91.63 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.668 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -37.59 74.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.871 0.732 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.47 -41.77 60.18 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.075 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -95.13 1.11 54.79 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.376 0.671 . . . . 0.0 110.161 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.49 -37.81 50.93 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.73 -11.68 59.83 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.928 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -70.97 142.05 51.02 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -69.7 -33.84 73.08 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.926 0.766 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.04 -29.63 70.97 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.024 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -68.0 -48.08 66.74 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.482 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -69.12 -10.65 58.69 Favored 'General case' 0 N--CA 1.504 2.256 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.11 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.65 88.15 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.227 0.955 . . . . 0.0 109.704 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.5 mt -83.53 128.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.55 -45.17 11.33 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -77.87 115.33 17.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.189 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -65.9 -35.18 79.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.893 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -61.26 -38.15 85.67 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.997 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.11 -34.78 79.23 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.423 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.17 -43.98 96.73 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.449 0.642 . . . . 0.0 109.469 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -65.44 -43.57 90.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.726 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.61 78.02 Favored 'General case' 0 C--N 1.362 1.151 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.21 -43.11 99.06 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.69 -46.97 87.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.141 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.12 -42.16 98.95 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.046 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.56 -39.63 77.27 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.621 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.09 -48.01 83.69 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.485 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.15 -45.84 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.351 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.43 95.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.57 -41.88 65.24 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 123.694 0.621 . . . . 0.0 111.334 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.55 89.99 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.502 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 . . . . . 0 C--N 1.361 1.099 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.545 -178.834 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.1 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.792 0.33 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtm 40.37 34.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.31 -38.17 87.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.579 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.99 99.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.18 -40.89 94.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.73 -38.58 86.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -63.49 -40.37 96.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.83 -48.33 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.41 -41.4 98.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.69 -33.99 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 tpt -75.26 -38.53 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.525 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 mmm -67.01 -44.58 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 12.1 pt-20 -69.01 -35.37 76.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -7.52 56.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.612 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.594 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -99.16 16.27 23.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 19' ' ' ALA . 26.7 mmtp -21.47 117.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -135.74 172.8 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -49.62 122.34 13.11 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.539 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.85 -16.88 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.748 2.299 . . . . 0.0 112.158 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.43 0.03 57.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 158.79 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.2 p -101.78 168.24 9.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.606 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.62 -42.07 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -56.7 -41.18 76.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.3 -42.54 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.41 -43.5 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.39 -38.08 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.99 68.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.46 -37.15 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.35 0.88 46.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.89 -39.72 59.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -80.38 11.97 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.47 140.62 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 m -69.4 -23.01 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -72.44 -17.65 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.48 -50.27 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -73.17 -4.93 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mt -97.82 118.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.546 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.47 -42.59 87.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.51 137.82 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.6 mtt -100.74 -12.96 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.08 -38.51 91.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -66.36 -35.86 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.62 -41.1 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.79 -40.48 95.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.98 83.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.89 -41.46 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.8 -41.39 97.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.61 -36.98 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.94 -48.39 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.11 -44.21 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.42 89.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.486 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.36 89.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -178.853 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 39.31 37.12 0.24 Allowed 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.388 0.613 . . . . 0.0 111.232 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.11 -36.49 77.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.035 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.7 79.13 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.907 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.62 -43.69 92.94 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.359 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.46 -42.92 91.79 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.243 0.544 . . . . 0.0 110.104 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.02 -38.37 90.83 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.058 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CA ' HH21 ' A' ' 39' ' ' ARG . 67.5 t80 -65.0 -49.75 69.01 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.072 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.74 -42.77 99.4 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.645 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.19 -40.63 82.02 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 113.701 -1.591 . . . . 0.0 109.045 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.23 -42.51 79.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.729 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -42.87 99.24 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.65 -38.39 77.1 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.253 0.549 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.5 -20.48 47.16 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.23 10.14 23.2 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 21.9 tptp -22.99 117.49 0.04 OUTLIER 'General case' 0 C--N 1.382 1.989 0 O-C-N 124.018 0.824 . . . . 0.0 109.457 -173.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -135.32 173.61 11.53 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.024 0.827 . . . . 0.0 109.611 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -49.61 121.26 11.81 Favored Pre-proline 0 CA--C 1.591 2.555 0 O-C-N 123.899 0.749 . . . . 0.0 110.033 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.78 -17.14 42.24 Favored 'Trans proline' 0 N--CA 1.522 3.151 0 C-N-CA 122.261 1.974 . . . . 0.0 112.139 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.46 -2.74 57.94 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.8 0.44 . . . . 0.0 111.348 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.04 157.44 36.11 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -101.43 166.78 10.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.86 -43.43 98.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.008 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -57.78 -42.85 84.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.744 0.418 . . . . 0.0 110.81 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.56 -44.89 69.96 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.112 0.482 . . . . 0.0 110.732 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -64.67 -44.69 89.55 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 121.116 0.484 . . . . 0.0 111.309 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.8 -39.09 93.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.039 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.39 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.909 0.484 . . . . 0.0 110.465 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -71.24 -42.08 69.31 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.759 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.55 2.07 54.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 123.445 0.466 . . . . 0.0 109.985 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.08 -38.07 62.23 Favored 'General case' 0 N--CA 1.505 2.32 0 C-N-CA 122.455 0.302 . . . . 0.0 110.685 -176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.69 -13.44 60.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.14 141.17 58.86 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 m -65.56 -26.62 67.96 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.905 0.482 . . . . 0.0 110.287 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 HH21 ' CA ' ' A' ' 12' ' ' PHE . 66.7 mtp85 -70.32 -24.05 62.94 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.532 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -67.67 -52.31 39.53 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -74.85 -16.18 60.69 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.46 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.71 -34.92 78.94 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -93.0 119.65 41.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.44 -42.36 75.07 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.125 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.17 108.71 21.47 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.6 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.43 -9.81 58.77 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.569 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.2 -40.86 94.78 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.325 0.583 . . . . 0.0 110.273 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.75 -37.04 86.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -64.31 -40.18 95.41 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.39 0.614 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.03 -42.25 99.72 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.653 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.75 76.5 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.83 -41.97 95.32 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.457 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.32 -48.04 83.12 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.691 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.81 -41.13 99.16 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.813 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.24 -41.85 80.56 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.038 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.22 -48.56 80.95 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.89 -45.52 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.028 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.64 95.73 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.605 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.57 66.37 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.39 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.7 92.07 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.583 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 N--CA 1.483 1.177 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.567 -179.549 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.9 mmm 46.66 23.27 0.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.794 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.21 -44.1 95.43 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.224 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.09 79.09 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.885 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.41 -40.11 92.96 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.951 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.3 -40.04 96.25 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -69.29 -32.5 71.7 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.809 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.436 ' HA ' HH22 ' A' ' 39' ' ' ARG . 52.2 t80 -64.41 -54.66 29.19 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.144 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -64.69 -38.83 92.35 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.464 0.65 . . . . 0.0 110.779 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.08 -43.8 98.34 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.835 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -68.84 -45.58 70.77 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.702 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mmm -63.02 -42.6 99.83 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.45 -38.41 77.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.43 -23.15 40.5 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.747 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -88.76 12.78 14.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.7 tppt? -23.11 117.59 0.04 OUTLIER 'General case' 0 C--N 1.386 2.192 0 O-C-N 123.859 0.724 . . . . 0.0 109.59 -174.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.65 172.8 12.44 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.305 1.003 . . . . 0.0 109.374 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -49.02 121.92 11.0 Favored Pre-proline 0 CA--C 1.605 3.058 0 O-C-N 123.823 0.702 . . . . 0.0 110.358 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.19 -18.81 39.53 Favored 'Trans proline' 0 N--CA 1.526 3.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.42 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -88.05 -4.45 58.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 123.771 0.669 . . . . 0.0 111.395 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 153.37 42.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -96.5 164.53 12.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.18 -44.24 97.6 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.761 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -59.44 -38.02 79.61 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.24 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -71.29 -45.51 62.93 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 121.043 0.449 . . . . 0.0 109.949 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.66 -44.73 89.47 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.212 0.529 . . . . 0.0 110.994 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.07 -39.36 93.14 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.318 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.93 76.2 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -70.84 -43.31 68.79 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -96.31 2.72 53.06 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 123.13 0.268 . . . . 0.0 110.95 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.19 -36.6 61.13 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.631 0.372 . . . . 0.0 110.609 -177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 -13.27 59.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.419 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.5 139.61 53.88 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -63.07 -21.36 66.12 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.03 0.443 . . . . 0.0 110.857 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' A' ' 12' ' ' PHE . 29.0 mtp85 -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.773 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.54 -45.32 72.5 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.323 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -78.44 -14.96 59.14 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.2 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -36.5 81.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.081 0.552 . . . . 0.0 109.777 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -96.32 118.12 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -70.1 -42.1 73.14 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.56 106.44 18.41 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.53 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 mtm -70.64 -11.97 61.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.987 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.95 -41.28 95.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.453 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.18 -36.71 85.06 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.146 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -65.67 -41.94 91.89 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.5 -43.41 94.21 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.615 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.43 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.103 0.478 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.32 -41.46 98.91 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.883 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.59 -46.04 90.13 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.859 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.44 -41.46 98.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.917 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.08 -39.81 78.82 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.7 -48.61 79.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.428 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.33 -44.77 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.66 92.85 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.72 59.91 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.194 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.62 86.97 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 C--N 1.364 1.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.573 1.85 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 70.5 mtm 39.13 38.24 0.3 Allowed 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.157 0.503 . . . . 0.0 110.573 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.62 -37.85 85.46 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.148 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.78 94.22 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.526 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -65.48 -43.46 90.2 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -39.32 90.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.72 -38.74 92.24 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.61 -48.91 77.35 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.201 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.18 -41.59 99.23 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.244 0.545 . . . . 0.0 110.865 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.28 -42.02 90.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.948 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.2 tpt -67.15 -43.87 81.21 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mmm -63.0 -42.93 99.98 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 123.402 0.681 . . . . 0.0 112.127 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.13 -29.37 66.28 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.64 -19.01 23.14 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.273 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.76 6.53 45.62 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.306 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ALA . 14.9 mmmt -23.54 116.16 0.04 OUTLIER 'General case' 0 C--N 1.393 2.481 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 -175.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.71 172.86 12.36 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.925 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.72 119.67 4.75 Favored Pre-proline 0 CA--C 1.6 2.877 0 O-C-N 123.751 0.657 . . . . 0.0 110.238 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.88 -16.84 41.66 Favored 'Trans proline' 0 N--CA 1.524 3.298 0 C-N-CA 122.572 2.181 . . . . 0.0 112.053 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -89.58 -4.86 57.66 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 123.725 0.64 . . . . 0.0 111.224 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.54 151.92 42.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -93.09 169.17 10.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.05 -44.08 97.93 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 123.644 0.59 . . . . 0.0 110.997 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -58.29 -37.56 75.28 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.65 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -72.2 -44.95 62.21 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 122.299 0.239 . . . . 0.0 110.874 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.61 -46.02 80.91 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-O 121.133 0.492 . . . . 0.0 110.896 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.45 -40.42 93.22 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.537 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.11 81.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.67 -44.15 64.79 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.676 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -94.76 1.66 55.46 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.727 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.72 -35.68 44.01 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 122.777 0.431 . . . . 0.0 110.563 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.77 -11.92 60.0 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.544 0.527 . . . . 0.0 110.784 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.03 142.73 55.8 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -66.79 -33.03 74.73 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.198 0.599 . . . . 0.0 111.534 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -66.29 -25.47 66.87 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.77 -52.13 33.7 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.433 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -76.14 -15.31 60.1 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.26 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.16 82.93 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.014 0.526 . . . . 0.0 109.687 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.7 mt -86.08 119.22 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.71 -44.29 64.43 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.162 0.506 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -80.65 106.46 12.68 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.5 ptm -66.49 -26.57 67.24 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.568 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.82 -39.3 93.89 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.9 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.22 -37.53 87.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -65.91 -41.06 91.94 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.0 -42.86 94.09 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.05 87.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.49 -42.44 98.53 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.717 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.43 -48.26 82.32 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.332 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.62 -41.8 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.646 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.4 -40.21 77.5 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.94 -48.71 79.21 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.17 -44.91 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.104 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.19 94.61 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.76 58.73 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.29 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.83 82.65 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.339 0.59 . . . . 0.0 110.632 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 5' ' ' ILE . 60.2 mt . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt 49.06 20.93 0.43 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.196 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.77 -46.22 89.86 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.65 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.94 99.15 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -65.9 -43.31 88.59 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.179 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -66.6 -40.3 88.81 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.95 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -62.62 -38.65 91.07 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.49 -46.97 86.04 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.174 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.4 -43.01 99.84 Favored 'General case' 0 N--CA 1.506 2.327 0 C-N-CA 123.186 0.594 . . . . 0.0 111.216 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.01 -40.0 91.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.643 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.2 tpt -68.64 -45.9 70.6 Favored 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.94 -43.36 99.0 Favored 'General case' 0 N--CA 1.512 2.66 0 C-N-CA 123.435 0.694 . . . . 0.0 112.6 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -37.62 74.99 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -80.44 -21.89 41.69 Favored 'General case' 0 N--CA 1.507 2.378 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.69 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.1 7.71 33.64 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.0 tppp? -23.58 117.83 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 123.967 0.792 . . . . 0.0 109.556 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.28 173.2 11.98 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.172 0.92 . . . . 0.0 109.45 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -45.96 120.43 5.34 Favored Pre-proline 0 CA--C 1.597 2.788 0 O-C-N 123.766 0.667 . . . . 0.0 110.159 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.26 -17.03 40.02 Favored 'Trans proline' 0 N--CA 1.52 3.037 0 C-N-CA 122.567 2.178 . . . . 0.0 112.04 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -88.64 -6.31 57.59 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 123.502 0.501 . . . . 0.0 111.119 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 151.32 45.11 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -94.38 169.72 10.01 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.07 -43.39 98.96 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.889 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.09 -38.96 77.39 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.499 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.61 -44.38 64.53 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.27 -45.54 84.07 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.97 -39.79 90.69 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.219 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.64 79.92 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.19 -43.44 64.5 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.244 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -94.54 2.58 55.67 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 123.118 0.261 . . . . 0.0 110.881 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.97 -38.7 57.54 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.608 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -78.04 -13.34 59.91 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.51 0.506 . . . . 0.0 110.656 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.46 140.74 58.9 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.38 -33.86 76.83 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.822 0.449 . . . . 0.0 111.142 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -68.67 -23.37 64.4 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.19 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 72.6 t80 -70.82 -53.07 16.68 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.23 -16.46 61.41 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.792 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.5 75.19 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.026 0.53 . . . . 0.0 109.983 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 mm -91.47 118.88 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -69.26 -43.14 74.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.832 0.853 . . . . 0.0 110.592 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -84.32 134.67 34.5 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.459 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 15.0 ptt? -94.19 -24.76 17.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.996 0.919 . . . . 0.0 109.333 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -63.99 -40.08 95.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.191 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.42 -39.54 94.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 86.5 mtm180 -65.5 -38.93 91.14 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.453 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.02 -41.84 97.32 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.86 83.73 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 120.986 0.422 . . . . 0.0 110.553 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.56 -41.4 96.33 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.038 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.2 -47.65 84.52 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.692 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.24 -41.64 98.6 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.88 -40.74 79.05 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.54 -48.57 80.44 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.723 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.13 -45.26 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.88 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.85 63.44 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.912 0.485 . . . . 0.0 111.412 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.95 90.42 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.662 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 CA--C 1.563 1.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.493 -179.378 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.6 mpt? 39.84 34.4 0.17 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.108 0.48 . . . . 0.0 110.544 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.63 -38.51 90.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.188 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.52 94.93 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.257 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.82 -42.45 90.58 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.45 -35.22 79.72 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.481 0.657 . . . . 0.0 110.24 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -70.82 -35.44 72.5 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.203 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.71 -52.66 59.53 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.183 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -61.83 -39.32 91.4 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 122.133 0.968 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.94 -40.34 92.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.505 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.35 -43.86 69.33 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.52 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mmm -62.91 -42.69 99.88 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.4 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.49 -36.39 76.48 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.555 0.693 . . . . 0.0 109.98 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.1 -21.05 36.96 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.11 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.51 11.16 24.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 18.1 tptm -23.57 118.16 0.04 OUTLIER 'General case' 0 C--N 1.364 1.211 0 O-C-N 124.062 0.851 . . . . 0.0 109.502 -174.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -135.51 173.71 11.42 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -46.41 116.78 3.86 Favored Pre-proline 0 CA--C 1.575 1.939 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.298 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.68 -18.53 37.33 Favored 'Trans proline' 0 N--CA 1.508 2.382 0 C-N-CA 122.501 2.134 . . . . 0.0 112.381 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -88.67 -4.53 58.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.404 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.34 152.89 41.79 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -90.96 163.3 14.4 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.24 -45.35 94.91 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.3 p -60.2 -36.88 78.64 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.34 -46.57 60.23 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.108 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.72 -45.14 83.84 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.257 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -62.56 -41.77 99.12 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.058 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.17 79.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.197 0.522 . . . . 0.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -70.96 -44.24 66.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.809 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.05 3.79 49.31 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.725 0.41 . . . . 0.0 110.215 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.21 -34.09 43.97 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.396 0.435 . . . . 0.0 110.081 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.46 -11.69 59.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.646 0.591 . . . . 0.0 110.869 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.68 140.7 55.44 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.34 -32.97 74.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.122 0.569 . . . . 0.0 110.592 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.24 -24.75 68.01 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.68 -47.01 64.75 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 121.692 0.758 . . . . 0.0 109.849 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -76.64 -12.21 59.97 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.588 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.66 87.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.4 mt -96.41 117.87 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.14 -42.92 75.35 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.003 0.814 . . . . 0.0 110.945 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 43' ' ' ILE . 63.4 mttp -80.39 133.56 35.91 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.833 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -94.51 -22.01 18.51 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -39.54 94.05 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.269 0.556 . . . . 0.0 110.802 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.7 -35.8 82.23 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.789 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.2 -41.56 94.4 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.72 -42.76 97.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.23 81.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.248 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.54 -43.4 97.21 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.078 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.73 -47.72 83.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.053 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -61.8 -41.52 97.86 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.875 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -69.87 -39.66 76.19 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.032 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.47 -48.84 79.28 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.403 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -64.2 -45.26 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.152 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.16 93.39 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.743 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.17 57.44 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.504 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt 46.78 23.06 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.689 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.06 -44.81 91.88 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.141 -177.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.34 74.21 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.43 -40.84 93.78 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.997 0.519 . . . . 0.0 111.286 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.37 -39.69 94.37 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.54 62.33 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.586 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -69.52 -54.76 12.62 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -61.02 -44.16 97.82 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.572 0.701 . . . . 0.0 110.458 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.23 -42.13 94.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.88 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.88 -44.31 97.27 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 123.709 0.63 . . . . 0.0 109.588 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.9 mmm -61.95 -39.59 92.64 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 122.907 0.483 . . . . 0.0 112.059 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.32 -53.68 40.24 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.968 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.41 -19.45 61.59 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.499 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.08 6.1 34.32 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.3 tptp -23.71 117.11 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 124.214 0.946 . . . . 0.0 109.167 -174.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -134.82 172.72 12.58 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.021 0.826 . . . . 0.0 109.338 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -47.16 120.89 6.98 Favored Pre-proline 0 CA--C 1.606 3.105 0 O-C-N 123.67 0.606 . . . . 0.0 110.356 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.88 -19.04 40.98 Favored 'Trans proline' 0 N--CA 1.535 3.963 0 C-N-CA 122.602 2.201 . . . . 0.0 112.705 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -88.69 -4.89 58.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 123.912 0.757 . . . . 0.0 111.387 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.51 154.75 41.55 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 m -97.91 164.85 12.2 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -60.58 -44.17 96.5 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.794 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -58.97 -41.13 86.81 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -70.06 -46.55 64.72 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.002 0.429 . . . . 0.0 110.58 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -64.16 -45.24 89.33 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.96 -39.66 93.82 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.197 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.76 76.16 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.29 -45.05 63.98 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.586 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.82 2.41 55.47 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 122.835 0.454 . . . . 0.0 110.807 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.23 -36.37 52.15 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 122.868 0.467 . . . . 0.0 110.686 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.78 -13.31 59.88 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.711 0.632 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.64 134.52 51.29 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -64.12 -26.72 68.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.215 0.531 . . . . 0.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -69.36 -27.48 65.37 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 124.375 1.07 . . . . 0.0 110.956 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 77.7 t80 -69.71 -47.73 62.08 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-O 121.388 0.613 . . . . 0.0 109.354 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -74.9 -13.97 60.6 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.26 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.53 81.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.232 0.613 . . . . 0.0 109.632 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.62 120.98 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.61 -45.76 20.88 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.412 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -72.27 124.75 25.72 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.027 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.5 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 27.2 ttt -80.41 -37.07 32.87 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.465 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.81 -37.35 84.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.332 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.18 -39.78 94.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.822 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.1 mtm180 -65.25 -43.46 91.26 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.19 -42.88 93.16 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.59 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.0 -42.36 99.82 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.071 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.28 -46.42 89.91 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.87 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.52 -41.5 98.89 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.981 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.91 -40.28 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.073 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.25 -49.38 77.34 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.597 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.08 -45.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 123.322 0.389 . . . . 0.0 110.006 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.01 95.54 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.579 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.78 67.04 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 122.975 0.51 . . . . 0.0 111.439 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.08 92.03 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.489 1.511 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.94 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 5' ' ' ILE . 66.4 mt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.784 0.802 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 47.34 20.12 0.15 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.505 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.71 -47.57 85.1 Favored 'General case' 0 C--N 1.376 1.752 0 C-N-CA 122.719 0.407 . . . . 0.0 110.58 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.14 99.55 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.799 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.77 -44.29 86.27 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -64.77 -40.69 95.69 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.88 -47.66 82.35 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -42.25 99.61 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 120.854 0.359 . . . . 0.0 110.781 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.14 -40.81 91.11 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.539 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 tpt -66.15 -45.04 82.42 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mmm -63.71 -43.45 96.53 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.1 -29.11 65.99 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -91.21 -18.48 24.36 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 123.202 0.601 . . . . 0.0 110.974 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.73 11.73 21.37 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 118.839 -0.601 . . . . 0.0 110.374 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.4 mmtt -24.17 116.14 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.873 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 124.576 1.172 . . . . 0.0 108.599 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.31 121.48 11.31 Favored Pre-proline 0 CA--C 1.606 3.115 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.424 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.6 -15.92 41.89 Favored 'Trans proline' 0 N--CA 1.528 3.501 0 C-N-CA 122.286 1.991 . . . . 0.0 112.298 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -90.86 -4.29 56.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.6 0.563 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 153.11 42.56 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -97.64 168.34 10.41 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.932 0.77 . . . . 0.0 109.104 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.51 -43.87 96.62 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.061 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -57.59 -42.04 82.39 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.448 0.299 . . . . 0.0 110.93 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.26 -45.23 66.85 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 120.69 0.281 . . . . 0.0 111.057 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -65.99 -44.76 83.91 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.062 0.458 . . . . 0.0 111.224 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.89 -39.97 91.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.325 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.36 77.08 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.44 -43.34 63.93 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.453 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -95.43 1.96 54.33 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 122.566 0.346 . . . . 0.0 110.936 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -35.38 49.7 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 122.523 0.329 . . . . 0.0 110.561 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.12 -11.87 59.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.268 0.355 . . . . 0.0 110.814 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.0 137.67 57.27 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -62.27 -33.43 74.61 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.363 0.602 . . . . 0.0 111.375 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -24.59 64.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.76 -52.27 32.23 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -73.57 -16.03 61.27 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.209 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.64 78.13 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.2 mt -89.25 119.05 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.54 -43.82 68.75 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.04 0.936 . . . . 0.0 110.869 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.36 111.65 16.96 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.359 0.6 . . . . 0.0 112.048 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.9 -33.52 75.77 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.869 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.86 -38.66 89.11 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.08 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.54 -43.1 95.06 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.632 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.21 -42.19 93.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.69 89.27 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.151 0.5 . . . . 0.0 110.347 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.44 -42.3 98.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.66 -47.92 84.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -62.81 -41.54 99.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.11 -40.85 82.45 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.879 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.97 -48.09 81.92 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.783 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.64 -45.09 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.43 92.29 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.18 64.47 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.439 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.54 90.63 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 63.5 mt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.4 mtt 43.61 26.99 0.14 Allowed 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.54 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.83 -39.93 78.81 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.925 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.77 91.07 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.27 -43.15 92.15 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.447 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.34 -42.45 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.65 -37.26 85.66 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.189 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.69 -48.59 76.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.652 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.87 -42.21 97.58 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 122.66 0.384 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.36 -41.39 93.58 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.314 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.85 -44.98 83.85 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.395 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.7 -43.12 99.63 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.23 -38.67 75.26 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.066 0.46 . . . . 0.0 109.999 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.1 -25.48 43.03 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.397 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -86.49 10.85 14.02 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ALA . 40.0 tptt -24.94 116.13 0.05 OUTLIER 'General case' 0 C--N 1.397 2.665 0 O-C-N 124.015 0.822 . . . . 0.0 109.404 -174.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -133.83 171.83 13.63 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 124.523 1.139 . . . . 0.0 108.862 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.89 122.27 9.13 Favored Pre-proline 0 CA--C 1.603 3.008 0 O-C-N 123.569 0.543 . . . . 0.0 110.633 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.42 -16.75 43.72 Favored 'Trans proline' 0 N--CA 1.53 3.674 0 C-N-CA 122.392 2.061 . . . . 0.0 112.263 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -89.61 -6.89 55.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 123.767 0.667 . . . . 0.0 110.993 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.54 46.28 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -95.8 169.44 10.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CD2' ' OE2' ' A' ' 50' ' ' GLU . 81.0 t80 -60.24 -43.77 95.78 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.704 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -57.85 -41.44 82.37 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.881 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.08 -45.42 67.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 120.925 0.393 . . . . 0.0 110.413 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.01 -44.16 90.12 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.498 0.666 . . . . 0.0 111.376 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.13 -38.45 88.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.325 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.59 83.83 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 123.143 0.277 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -69.57 -42.38 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.046 0.538 . . . . 0.0 111.596 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -97.1 0.96 49.4 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.67 -37.14 49.24 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.532 0.333 . . . . 0.0 110.721 -177.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -81.68 -11.17 59.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.466 0.479 . . . . 0.0 110.663 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.46 140.85 58.64 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -61.79 -34.91 76.75 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.31 -28.03 66.81 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.947 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.78 -50.75 63.57 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.168 0.509 . . . . 0.0 111.119 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -75.74 -15.91 60.21 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.019 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.58 76.09 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.7 mm -89.72 114.13 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.06 -43.56 70.94 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.592 0.757 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.13 127.25 32.95 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.955 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.8 ttp -88.08 -27.43 21.97 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -63.04 -39.27 94.23 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.51 -34.16 77.61 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -65.03 -39.3 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 27' ' ' PHE . 72.7 mm-40 -59.94 -43.39 95.0 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -51.67 68.34 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.85 -43.77 95.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.607 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.77 -49.0 79.26 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.315 0.579 . . . . 0.0 109.909 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.9 -41.57 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.674 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -68.28 -41.27 81.26 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.924 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.06 -49.26 76.68 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.99 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.22 -44.62 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.99 92.54 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.03 -40.54 68.36 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.324 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.91 91.52 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.464 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.827 0.346 . . . . 0.0 110.563 -179.436 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.6 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 48.03 20.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.399 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.18 -43.18 96.07 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.65 96.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.027 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.51 -42.08 92.45 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.09 -40.58 94.8 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.869 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -63.29 -41.29 98.97 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.575 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.75 -49.39 75.22 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' NZ ' HD22 ' A' ' 52' ' ' LEU . 43.6 mmtm -62.65 -42.53 99.65 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.492 0.663 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.53 -41.15 93.85 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.337 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.78 -42.08 86.64 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.513 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.99 -42.89 89.19 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.59 -42.46 78.19 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.218 0.532 . . . . 0.0 111.653 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -17.17 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.786 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.75 8.55 34.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 123.466 0.479 . . . . 0.0 109.973 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 19.1 tptm -22.76 118.39 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 O-C-N 124.043 0.84 . . . . 0.0 109.573 -174.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -135.23 173.37 11.79 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 123.954 0.784 . . . . 0.0 109.619 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -46.39 121.6 6.34 Favored Pre-proline 0 CA--C 1.584 2.273 0 O-C-N 123.942 0.776 . . . . 0.0 110.355 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.36 -16.72 39.41 Favored 'Trans proline' 0 N--CA 1.519 3.004 0 C-N-CA 122.382 2.055 . . . . 0.0 112.464 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -90.56 -3.12 57.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 123.641 0.588 . . . . 0.0 111.155 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.4 152.32 42.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.9 p -98.14 169.01 9.9 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 124.061 0.851 . . . . 0.0 108.74 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -60.25 -44.34 95.36 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.988 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -57.94 -39.96 79.34 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.414 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.01 -44.21 66.36 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.164 0.507 . . . . 0.0 111.044 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.68 -46.04 84.12 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.34 -38.41 90.04 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.327 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.15 83.79 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.405 0.441 . . . . 0.0 110.275 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -71.51 -43.33 66.69 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.761 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -94.4 5.13 52.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 123.498 0.499 . . . . 0.0 109.968 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.08 -39.42 59.71 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.608 0.242 . . . . 0.0 110.643 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -77.8 0.01 25.41 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.5 127.62 32.64 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.4 t -60.19 -24.24 64.63 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.027 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.44 -24.54 63.83 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.619 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.01 -47.21 60.06 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.053 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -73.62 -12.87 60.89 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.057 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.11 82.73 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.539 0.524 . . . . 0.0 109.731 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -92.21 116.11 32.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.82 -44.14 64.42 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.977 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.08 128.14 33.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.094 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 tpp -87.84 -27.61 22.13 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.909 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -62.86 -39.77 95.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.091 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.39 -37.37 87.26 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.83 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -65.65 -40.71 92.78 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -42.46 99.08 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.421 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 -46.59 88.22 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 85.7 mt -64.5 -42.89 95.55 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.438 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.21 -46.98 87.86 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.636 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.61 -40.65 97.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.39 -41.32 80.69 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.36 -48.09 82.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.85 -45.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.2 94.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.71 67.09 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.516 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.67 95.2 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.679 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 . . . . . 0 CA--C 1.551 1.006 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.683 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 5' ' ' ILE . 57.6 mt . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.4 mtm 50.07 20.55 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.936 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.1 -48.33 80.65 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.23 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.13 94.05 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.989 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.56 -42.72 91.52 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.959 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.32 -39.46 93.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -62.18 -40.13 95.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.725 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -62.03 -50.18 73.05 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.498 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.22 -42.03 99.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.806 0.812 . . . . 0.0 111.453 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.27 -40.91 87.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.247 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.5 tpt -68.65 -43.6 75.89 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mmm -61.74 -43.01 99.68 Favored 'General case' 0 N--CA 1.508 2.438 0 C-N-CA 123.338 0.655 . . . . 0.0 112.525 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.25 -38.19 78.32 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.688 0.756 . . . . 0.0 109.627 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.9 -21.65 43.71 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.641 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.18 11.26 21.55 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.2 tppp? -23.39 118.38 0.04 OUTLIER 'General case' 0 C--N 1.38 1.916 0 O-C-N 124.063 0.852 . . . . 0.0 109.651 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.15 173.67 11.46 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 123.676 0.61 . . . . 0.0 109.397 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -48.66 121.7 10.12 Favored Pre-proline 0 CA--C 1.586 2.347 0 O-C-N 124.048 0.842 . . . . 0.0 110.224 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.1 -16.71 40.55 Favored 'Trans proline' 0 N--CA 1.529 3.599 0 C-N-CA 122.153 1.902 . . . . 0.0 112.504 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -90.27 -4.01 57.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.549 0.53 . . . . 0.0 111.321 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.86 154.18 40.71 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 p -98.01 168.08 10.5 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 124.448 1.092 . . . . 0.0 108.081 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.37 -43.83 96.19 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.024 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -57.99 -42.09 84.39 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.69 -45.31 68.59 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.26 0.552 . . . . 0.0 111.268 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.29 -46.85 81.81 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.341 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.37 -38.81 91.16 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.442 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.95 80.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 123.559 0.537 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.91 -44.27 63.95 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.893 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -93.89 4.21 54.25 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.32 -38.53 53.5 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -81.46 -10.78 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.717 0.407 . . . . 0.0 111.023 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.27 133.2 47.6 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.1 m -62.56 -34.77 77.63 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 123.288 0.635 . . . . 0.0 110.465 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -63.0 -28.78 70.34 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.746 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.15 -47.12 68.93 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 121.733 0.778 . . . . 0.0 109.791 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.36 -10.47 59.14 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.493 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -35.79 81.9 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.0 mm -84.96 123.31 39.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.29 -44.66 12.66 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.535 0.734 . . . . 0.0 110.077 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.95 113.84 16.25 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.645 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -38.99 93.15 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.39 -37.71 81.64 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.131 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.96 -34.56 78.26 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.897 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.69 -42.87 99.51 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.134 0.492 . . . . 0.0 109.835 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.19 -42.44 93.6 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.747 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.3 73.95 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 121.01 0.433 . . . . 0.0 110.21 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.14 -42.43 93.84 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.489 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.92 -48.36 82.02 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.994 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.89 -40.9 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.866 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -67.25 -43.49 81.76 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.13 -48.17 82.85 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.931 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.87 -45.8 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 123.863 0.727 . . . . 0.0 110.045 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.24 96.33 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.443 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.38 67.14 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.551 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.25 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.708 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.562 -179.148 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.2 mt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt 44.39 32.04 0.67 Allowed 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 120.96 0.409 . . . . 0.0 111.054 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -60.18 -39.32 86.06 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 123.174 0.59 . . . . 0.0 111.075 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.95 83.15 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.361 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.74 -42.79 90.53 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.26 -38.76 92.43 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.246 0.546 . . . . 0.0 109.558 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -68.82 -29.93 68.38 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.247 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.12 -52.89 44.28 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -62.26 -40.59 96.73 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 123.235 0.614 . . . . 0.0 110.469 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 -43.33 98.04 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.682 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.4 tpt -67.11 -46.17 75.0 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.551 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.0 mmm -63.31 -43.5 97.65 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.38 -42.6 68.2 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.408 0.623 . . . . 0.0 110.11 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.4 -38.91 68.31 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.489 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -79.15 17.15 0.82 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 17.9 tptm -24.28 118.01 0.05 OUTLIER 'General case' 0 C--N 1.385 2.135 0 O-C-N 123.939 0.775 . . . . 0.0 109.213 -174.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -134.72 173.21 11.94 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.348 1.03 . . . . 0.0 109.089 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -48.18 121.1 8.79 Favored Pre-proline 0 CA--C 1.609 3.24 0 O-C-N 123.692 0.62 . . . . 0.0 110.36 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.35 -16.42 39.27 Favored 'Trans proline' 0 N--CA 1.526 3.437 0 C-N-CA 122.573 2.182 . . . . 0.0 111.578 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -90.18 -5.01 56.9 Favored 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 123.186 0.595 . . . . 0.0 110.945 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.59 157.09 38.6 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -100.24 165.97 11.22 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.463 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.5 -45.87 64.81 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 120.967 0.413 . . . . 0.0 110.113 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -65.19 -43.64 90.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.097 0.475 . . . . 0.0 111.141 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.26 -38.54 90.63 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.918 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.56 81.5 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 122.722 0.409 . . . . 0.0 110.386 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.68 -42.32 70.88 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.198 0.599 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.67 0.75 50.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 122.707 0.403 . . . . 0.0 110.473 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.69 -35.57 55.73 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 122.325 0.25 . . . . 0.0 110.589 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -77.69 -12.72 60.0 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.593 0.558 . . . . 0.0 110.413 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.25 142.86 56.77 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -69.99 -18.49 63.33 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.85 -24.95 60.95 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.601 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.69 -52.23 47.05 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 121.123 0.487 . . . . 0.0 110.698 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -73.74 -16.67 61.17 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.798 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.99 79.2 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.133 0.573 . . . . 0.0 109.941 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.9 115.73 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -70.15 -41.45 73.83 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.09 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -85.45 107.46 17.42 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.263 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.56 73.91 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 123.653 0.781 . . . . 0.0 109.505 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.23 -38.38 86.45 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.686 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.04 -36.8 85.51 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -64.14 -41.23 97.27 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.25 -40.74 96.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.773 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.51 70.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.07 -40.55 96.5 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.522 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.09 -46.53 89.28 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.236 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.04 -40.55 78.51 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.012 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.26 -49.33 77.51 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.558 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.76 -45.28 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.74 93.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.72 60.39 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 122.972 0.509 . . . . 0.0 111.152 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.39 88.05 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.556 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.36 0.6 . . . . 0.0 110.312 179.573 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.3 mt . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 44.43 28.01 0.27 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 121.221 0.534 . . . . 0.0 110.288 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.43 -39.34 90.43 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.691 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.54 93.85 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 123.922 0.764 . . . . 0.0 110.699 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.41 -43.39 90.71 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.037 0.535 . . . . 0.0 111.039 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.46 -42.84 95.71 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.06 -40.56 98.06 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.372 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -63.55 -50.49 69.31 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -62.11 -40.68 96.71 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-O 121.852 0.834 . . . . 0.0 110.878 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -57.83 -38.74 76.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.044 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 tpt -67.84 -43.33 79.78 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.637 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.3 mtp -61.05 -43.86 98.25 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.96 -37.71 75.88 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-O 121.209 0.528 . . . . 0.0 109.59 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -80.46 -20.6 43.4 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.634 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.82 6.18 45.39 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.2 tptp -24.19 117.47 0.05 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 O-C-N 124.19 0.931 . . . . 0.0 109.245 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -136.25 173.6 11.53 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.81 0.693 . . . . 0.0 109.385 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -45.63 120.27 4.91 Favored Pre-proline 0 CA--C 1.59 2.483 0 O-C-N 123.73 0.644 . . . . 0.0 110.552 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -17.73 42.03 Favored 'Trans proline' 0 N--CA 1.528 3.534 0 C-N-CA 122.254 1.969 . . . . 0.0 112.518 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -89.83 -5.06 57.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.652 0.595 . . . . 0.0 111.342 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 155.08 40.5 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 m -95.31 166.54 11.84 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -61.3 -43.29 99.12 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.98 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -58.49 -41.05 84.44 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.19 -45.23 70.44 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.253 0.549 . . . . 0.0 110.596 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.0 -45.81 84.03 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.358 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.69 -39.8 91.66 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.243 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.81 74.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 123.584 0.553 . . . . 0.0 109.84 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.62 -43.77 62.84 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.696 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -94.81 2.55 55.49 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 123.101 0.56 . . . . 0.0 110.544 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.49 -38.37 59.31 Favored 'General case' 0 N--CA 1.503 2.175 0 C-N-CA 122.846 0.458 . . . . 0.0 110.928 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.06 -13.53 59.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.66 141.48 58.76 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.97 -35.38 81.01 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.317 0.647 . . . . 0.0 111.396 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.55 -25.43 66.65 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.411 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.65 -51.54 40.92 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.969 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -75.3 -15.68 60.49 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.35 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.87 82.01 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.22 119.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.34 -44.91 61.94 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.353 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.31 124.24 27.87 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.429 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -82.97 -25.79 31.95 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -64.37 -39.07 93.15 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.92 -37.72 88.57 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.639 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -66.15 -41.44 90.42 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 121.164 0.507 . . . . 0.0 110.097 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.21 -42.68 96.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.213 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.8 83.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -63.03 -44.15 96.74 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.907 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.21 -47.92 83.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.149 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -61.62 -43.43 98.87 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.906 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.79 -38.52 76.7 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.715 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -61.07 -48.71 80.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -64.09 -45.62 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 123.528 0.518 . . . . 0.0 110.219 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.68 96.5 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.725 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.71 61.2 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.475 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.19 86.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.617 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.765 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 47.17 19.85 0.12 Allowed 'General case' 0 C--N 1.389 2.286 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.13 -48.78 78.61 Favored 'General case' 0 C--N 1.369 1.446 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.76 88.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.762 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.41 -41.69 93.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.891 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -65.91 -39.11 90.28 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.827 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -62.17 -38.62 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.074 0.859 . . . . 0.0 109.391 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.27 -50.18 72.73 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.511 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.24 -41.09 99.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.577 0.704 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.67 -39.95 82.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.019 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.54 -44.16 71.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -44.11 97.9 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.36 -37.47 77.64 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.133 0.492 . . . . 0.0 109.956 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.98 -20.54 41.66 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.348 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.24 9.37 28.88 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 19' ' ' ALA . 41.0 tptt -22.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.288 0 O-C-N 124.05 0.844 . . . . 0.0 109.431 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -135.39 173.7 11.43 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.527 1.142 . . . . 0.0 109.862 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -49.8 123.32 14.84 Favored Pre-proline 0 CA--C 1.597 2.774 0 O-C-N 123.865 0.728 . . . . 0.0 110.385 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.09 -16.68 40.57 Favored 'Trans proline' 0 N--CA 1.521 3.124 0 C-N-CA 122.347 2.031 . . . . 0.0 112.393 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -90.24 -4.2 57.34 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 123.674 0.609 . . . . 0.0 111.228 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.27 152.66 43.07 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.8 p -97.57 165.62 11.9 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.99 -44.05 97.98 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.043 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -59.2 -39.32 82.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.313 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -70.51 -45.98 64.55 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.124 0.488 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.49 -44.87 89.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.16 -39.3 92.75 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.354 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.22 79.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.361 0.413 . . . . 0.0 109.969 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.38 -43.35 67.05 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.86 3.61 54.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.439 0.462 . . . . 0.0 110.339 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.71 -35.77 56.24 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 122.574 0.349 . . . . 0.0 110.58 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -78.82 -11.98 60.01 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.45 139.81 57.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.53 -21.58 66.72 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.126 0.488 . . . . 0.0 111.857 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -70.34 -24.53 63.01 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.426 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -70.28 -52.39 23.29 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.434 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.89 -15.27 60.71 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.105 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.5 77.86 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.153 0.581 . . . . 0.0 109.57 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 mm -95.72 119.68 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -70.33 -41.56 73.07 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.098 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.92 108.31 20.68 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.746 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.56 -10.27 59.51 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -65.26 -40.93 94.61 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.205 0.526 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.11 -36.87 85.65 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -65.15 -41.74 94.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.79 -43.32 96.67 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.9 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.409 0.624 . . . . 0.0 110.484 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.56 -42.71 95.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.93 -47.59 85.17 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.754 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.45 -40.76 97.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -68.58 -41.03 80.24 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.313 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.47 -48.66 80.12 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.189 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.51 95.15 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.527 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.38 -41.72 66.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.554 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.98 93.71 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.825 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 N--CA 1.489 1.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.628 -179.314 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 5' ' ' ILE . 55.9 mt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 43.88 32.35 0.6 Allowed 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 121.134 0.492 . . . . 0.0 111.066 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -64.37 -41.38 96.74 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.741 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -49.04 78.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.08 -42.35 89.5 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.328 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.69 -39.51 93.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.295 0.569 . . . . 0.0 109.506 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -63.52 -35.03 79.11 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.65 -50.27 69.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.33 -40.99 98.84 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.417 0.627 . . . . 0.0 110.64 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.04 -42.69 94.98 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.06 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.25 -46.13 71.31 Favored 'General case' 0 CA--C 1.568 1.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.77 -42.67 99.8 Favored 'General case' 0 N--CA 1.509 2.521 0 C-N-CA 123.309 0.644 . . . . 0.0 112.576 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.78 -38.72 76.78 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.67 -23.83 42.2 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.672 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.98 6.88 33.78 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.7 tptt -24.65 117.11 0.05 Allowed 'General case' 0 C--N 1.396 2.596 0 O-C-N 124.287 0.992 . . . . 0.0 109.256 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -134.85 173.22 11.95 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.951 0.782 . . . . 0.0 109.42 -176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.88 119.98 4.06 Favored Pre-proline 0 CA--C 1.6 2.886 0 O-C-N 123.766 0.666 . . . . 0.0 110.514 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.79 -17.61 42.06 Favored 'Trans proline' 0 N--CA 1.528 3.546 0 C-N-CA 122.353 2.035 . . . . 0.0 112.168 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -88.8 -6.61 57.26 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.564 0.54 . . . . 0.0 111.058 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 152.81 42.25 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -94.87 168.42 10.81 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.006 0.816 . . . . 0.0 108.86 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -60.59 -42.76 97.38 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.707 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.6 t -58.51 -42.25 87.26 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.471 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.58 -45.0 73.2 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.582 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -64.73 -45.01 88.33 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.131 0.491 . . . . 0.0 110.978 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.46 -38.22 89.19 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.368 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.33 79.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.262 0.351 . . . . 0.0 110.198 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.6 -42.59 70.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 122.701 0.4 . . . . 0.0 111.479 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -95.26 1.2 54.47 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 122.499 0.32 . . . . 0.0 110.585 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.13 -39.04 63.18 Favored 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 122.665 0.386 . . . . 0.0 110.549 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -77.18 -14.59 59.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.089 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.61 139.3 58.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.4 t -62.43 -22.06 65.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.087 0.47 . . . . 0.0 111.042 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -69.81 -25.79 63.94 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.08 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -68.09 -51.59 44.68 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 121.057 0.455 . . . . 0.0 111.104 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -76.46 -14.87 60.02 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.628 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.43 80.6 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.146 0.578 . . . . 0.0 109.901 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.12 117.17 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.65 -43.34 69.39 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.79 0.836 . . . . 0.0 110.569 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -91.87 107.33 19.13 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.502 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.4 mtt -72.41 -11.25 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.323 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.71 -41.33 92.41 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -34.65 78.74 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -65.15 -42.55 93.65 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.48 -44.5 86.9 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.55 77.08 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.224 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.01 -42.3 99.8 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.763 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -58.17 -46.68 85.32 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.07 -41.54 98.27 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.09 -40.26 78.52 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.55 -49.04 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.662 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.7 t -64.32 -45.2 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.61 95.36 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.03 62.4 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.681 0.393 . . . . 0.0 111.325 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.67 91.47 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.709 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.6 mt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 44.85 26.07 0.18 Allowed 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.337 0.589 . . . . 0.0 110.054 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -59.93 -41.83 92.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.424 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.39 98.95 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.091 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -65.38 -44.73 86.62 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.289 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -66.0 -41.09 91.5 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.446 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.1 -39.21 91.7 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.2 -48.76 76.94 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.125 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.21 -42.56 99.41 Favored 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.374 0.607 . . . . 0.0 111.619 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.07 -39.3 85.56 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.339 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.68 -44.51 90.09 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.0 mtp -63.99 -43.17 96.53 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 17.4 pt-20 -68.45 -32.46 72.49 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.7 -19.32 26.29 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 123.174 0.59 . . . . 0.0 111.065 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -93.17 10.39 31.95 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.36 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ALA . 53.0 mtmt -26.29 119.79 0.08 Allowed 'General case' 0 C--N 1.416 3.493 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -173.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -133.73 172.56 12.6 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.45 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -47.18 120.89 7.01 Favored Pre-proline 0 CA--C 1.605 3.079 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.561 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.25 -17.03 44.86 Favored 'Trans proline' 0 N--CA 1.53 3.661 0 C-N-CA 122.372 2.048 . . . . 0.0 112.243 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -89.62 -5.37 57.21 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.5 0.5 . . . . 0.0 111.028 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 151.86 43.64 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -96.46 169.24 10.05 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.058 0.849 . . . . 0.0 108.907 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.46 -44.1 93.05 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.531 0.732 . . . . 0.0 110.597 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -58.05 -43.27 86.78 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.675 0.39 . . . . 0.0 111.076 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.55 -45.42 68.79 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.01 -45.68 84.53 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.211 0.529 . . . . 0.0 111.103 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.25 -39.93 89.83 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.86 73.49 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -73.45 -43.69 59.77 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.99 1.64 55.23 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 122.54 0.336 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.91 -36.82 50.22 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 122.866 0.466 . . . . 0.0 110.225 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -81.12 -12.08 59.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.433 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.93 140.12 58.31 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -65.06 -33.49 76.15 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.49 0.662 . . . . 0.0 111.249 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 -25.21 63.44 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.996 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -69.17 -51.96 32.89 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 120.924 0.392 . . . . 0.0 110.731 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -72.69 -14.64 61.62 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.655 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.15 79.03 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.308 0.643 . . . . 0.0 109.469 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.2 mt -79.92 123.72 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 pm0 -80.97 -44.17 18.57 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.413 0.685 . . . . 0.0 109.538 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.2 108.91 9.45 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.859 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.4 ttp -64.94 -36.85 85.7 Favored 'General case' 0 CA--C 1.57 1.741 0 CA-C-O 121.386 0.613 . . . . 0.0 110.181 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.26 -37.31 82.64 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.921 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -35.29 80.59 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -43.68 98.44 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.368 1.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.533 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.73 74.78 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.837 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.31 -41.99 96.57 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.764 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.6 -47.89 84.2 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.177 0.513 . . . . 0.0 110.078 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.15 -41.3 99.24 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.783 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.31 -42.29 79.61 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.78 -48.18 81.81 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.503 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -44.79 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.54 93.54 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.783 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.14 57.41 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.73 87.97 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 122.582 0.353 . . . . 0.0 110.4 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.516 0.674 . . . . 0.0 110.524 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.245 0.826 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 81.4 mtp 38.16 25.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.033 0.533 . . . . 0.0 111.947 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.209 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.49 95.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.118 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -65.4 -43.07 91.76 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.652 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -65.61 -39.19 91.26 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.09 -37.91 89.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.353 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.91 -48.24 81.35 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.857 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.02 -41.61 99.59 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 121.616 0.722 . . . . 0.0 111.024 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.81 -39.06 87.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.0 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 tpt -69.96 -43.79 70.81 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.32 -41.37 96.85 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.09 -42.93 83.79 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.03 0.443 . . . . 0.0 111.595 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.45 -16.78 53.58 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.042 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.66 4.92 47.98 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.917 0.487 . . . . 0.0 109.711 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.0 tptp -23.91 118.44 0.04 OUTLIER 'General case' 0 C--N 1.376 1.745 0 O-C-N 124.354 1.034 . . . . 0.0 109.568 -173.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.54 173.27 11.9 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 123.819 0.699 . . . . 0.0 109.345 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.81 119.84 3.97 Favored Pre-proline 0 CA--C 1.582 2.205 0 O-C-N 124.016 0.823 . . . . 0.0 110.319 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -69.12 -17.4 40.48 Favored 'Trans proline' 0 N--CA 1.52 3.044 0 C-N-CA 122.171 1.914 . . . . 0.0 112.541 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.36 -5.78 57.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.733 0.645 . . . . 0.0 111.376 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 150.67 44.02 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -93.66 169.28 10.45 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.78 -42.64 97.94 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.754 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -58.38 -42.2 86.53 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.545 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -69.01 -44.86 71.92 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.982 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.68 -46.44 82.4 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.047 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.06 -39.64 93.57 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.199 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.33 79.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.618 0.574 . . . . 0.0 109.948 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.35 -44.11 65.69 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.839 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.94 3.19 55.24 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 123.587 0.555 . . . . 0.0 110.279 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.48 -36.83 55.88 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 120.77 0.319 . . . . 0.0 110.686 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.51 -13.31 60.1 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.076 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.7 140.65 58.89 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -68.08 -27.82 66.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.029 0.443 . . . . 0.0 111.396 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -70.65 -23.0 62.44 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.7 -53.07 24.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.079 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -74.68 -15.36 60.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.938 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.89 85.42 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.72 121.75 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -73.79 -45.34 52.15 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 123.523 0.729 . . . . 0.0 111.549 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.92 107.44 12.7 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.554 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.478 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 48.9 ttp -67.69 -35.33 78.63 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.123 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -59.27 -37.04 76.64 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.866 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.46 -39.01 93.33 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.631 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.2 mtm180 -64.53 -39.45 93.79 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.281 0.562 . . . . 0.0 110.823 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.62 -41.53 98.27 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.789 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.61 86.83 Favored 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.215 0.531 . . . . 0.0 110.057 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.12 -42.27 96.91 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.736 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.83 -48.06 82.65 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.926 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.7 -41.44 99.12 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.211 0.529 . . . . 0.0 110.024 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.88 -41.12 78.75 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.25 -48.29 82.11 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.582 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.21 -45.31 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.46 95.44 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.567 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.77 64.58 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.381 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.63 87.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.762 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.482 1.148 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.445 -179.065 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 mmt 44.02 31.48 0.53 Allowed 'General case' 0 N--CA 1.508 2.434 0 CA-C-O 120.938 0.399 . . . . 0.0 111.244 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.13 -41.56 96.95 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.966 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.51 73.81 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.494 0.317 . . . . 0.0 110.818 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -65.37 -41.65 93.57 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.715 0.406 . . . . 0.0 111.011 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.02 -43.52 95.37 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -63.2 -39.23 94.06 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.942 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -64.13 -50.62 67.52 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.36 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.19 -43.25 98.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.132 0.492 . . . . 0.0 110.512 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.61 -43.39 97.51 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.196 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.1 tpt -66.39 -43.31 86.21 Favored 'General case' 0 CA--C 1.576 1.974 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.975 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.2 mmm -65.17 -41.97 94.13 Favored 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -68.45 -39.25 81.52 Favored 'General case' 0 N--CA 1.512 2.641 0 O-C-N 122.203 -0.311 . . . . 0.0 111.085 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -16.07 41.01 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.175 0.59 . . . . 0.0 111.399 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.31 15.46 10.47 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.5 mmtt -23.66 116.08 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.232 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -175.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -132.88 169.95 16.03 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.681 1.238 . . . . 0.0 108.363 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -50.61 121.52 14.66 Favored Pre-proline 0 CA--C 1.604 3.048 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.346 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.09 -16.7 45.17 Favored 'Trans proline' 0 N--CA 1.532 3.762 0 C-N-CA 122.332 2.021 . . . . 0.0 112.143 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.12 -6.41 55.44 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 123.705 0.628 . . . . 0.0 111.196 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 156.12 39.86 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 m -97.27 164.99 12.25 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -60.59 -42.75 97.35 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.465 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.7 t -58.65 -41.74 86.77 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.839 0.456 . . . . 0.0 110.783 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.75 -43.78 79.1 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 120.945 0.403 . . . . 0.0 110.087 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.43 -45.1 85.2 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 121.211 0.529 . . . . 0.0 110.951 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.88 -38.65 89.35 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.735 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.36 84.75 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.033 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -71.03 -43.38 68.02 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.022 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -92.81 3.95 54.72 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 122.462 0.305 . . . . 0.0 110.897 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -40.64 61.95 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 122.586 0.355 . . . . 0.0 110.677 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -79.38 0.22 30.05 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.785 0.434 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -82.72 124.93 30.69 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.9 p -57.45 -27.93 62.89 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.718 0.407 . . . . 0.0 110.499 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -64.95 -28.2 69.36 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 44.2 t80 -68.43 -45.13 73.38 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.433 0.635 . . . . 0.0 110.012 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.61 -11.42 60.64 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.513 -1.222 . . . . 0.0 111.158 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.1 90.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.024 0.53 . . . . 0.0 110.487 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 43' ' ' ILE . 3.1 mp -85.36 129.09 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -87.31 -44.01 11.73 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.356 0.598 . . . . 0.0 109.514 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.4 141.83 41.3 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.139 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -103.07 -26.38 13.07 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 123.803 0.841 . . . . 0.0 110.239 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.3 -35.24 80.41 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' NH1' ' CE2' ' A' ' 40' ' ' PHE . 78.3 mtt180 -64.49 -44.9 89.51 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.53 -43.93 88.46 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.612 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.77 75.04 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.081 0.467 . . . . 0.0 110.334 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.0 -42.67 97.09 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.52 -46.72 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.959 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.07 -41.42 98.15 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.259 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.98 -40.19 83.17 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.88 -48.09 82.08 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.821 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.71 -44.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.14 93.29 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.61 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.93 -41.58 61.86 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.852 0.461 . . . . 0.0 111.534 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.18 90.23 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.907 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.74 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.243 0.754 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.8 mtt 46.32 21.52 0.12 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.704 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.83 -45.22 93.61 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.882 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.22 87.04 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.13 -43.39 95.39 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.312 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.79 -43.24 93.84 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.649 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.43 94.81 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.124 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -64.28 -49.7 70.82 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.822 0.82 . . . . 0.0 110.276 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.24 -44.07 97.4 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.926 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.32 -36.5 75.76 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.639 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 tpt -70.85 -43.17 69.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.1 mmm -61.64 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.411 -176.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.62 -35.72 75.52 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.114 0.483 . . . . 0.0 110.638 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.8 -17.92 45.89 Favored 'General case' 0 C--N 1.367 1.351 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.379 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.54 5.91 50.32 Favored 'General case' 0 CA--C 1.491 -1.322 0 O-C-N 124.651 1.219 . . . . 0.0 109.538 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 19' ' ' ALA . 36.9 ttpt -25.82 120.45 0.07 Allowed 'General case' 0 C--N 1.362 1.141 0 O-C-N 124.189 0.931 . . . . 0.0 110.743 -175.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -135.85 172.69 12.64 Favored 'General case' 0 CA--C 1.481 -1.688 0 O-C-N 124.538 1.149 . . . . 0.0 109.77 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.9 m-80 -43.38 108.59 0.69 Allowed Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 125.113 1.508 . . . . 0.0 109.05 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.44 -31.9 92.55 Favored 'Trans proline' 0 N--CA 1.532 3.79 0 C-N-CA 122.584 2.189 . . . . 0.0 113.3 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -74.31 -5.16 40.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.358 1.036 . . . . 0.0 111.803 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 160.15 30.25 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.0 p -98.84 166.99 11.04 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 124.533 1.146 . . . . 0.0 108.714 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.96 -44.51 97.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.489 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -56.08 -41.0 74.44 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.262 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.31 -44.47 71.69 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.56 0.695 . . . . 0.0 110.969 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.52 -46.33 83.4 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.09 -39.52 94.23 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.23 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.93 77.99 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 123.459 0.474 . . . . 0.0 110.382 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -72.71 -41.82 64.83 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 123.585 0.553 . . . . 0.0 111.833 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.12 2.72 53.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 124.337 1.023 . . . . 0.0 110.03 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.71 -37.6 51.57 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.522 0.329 . . . . 0.0 110.178 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.15 -10.4 59.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.44 141.82 57.79 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -67.01 -30.78 70.98 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.329 0.585 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -68.94 -21.49 64.19 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.177 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.53 -52.32 18.87 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 124.14 0.9 . . . . 0.0 110.949 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.72 -12.94 60.06 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.752 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -35.99 82.1 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' LYS . 71.5 mt -92.33 123.05 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -71.91 -45.97 59.32 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.203 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 43' ' ' ILE . 68.5 mttm -79.68 135.07 36.45 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.254 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.414 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 14.2 ptt? -97.35 -23.48 16.09 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.218 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -63.4 -40.2 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 122.625 0.37 . . . . 0.0 111.409 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.61 -38.49 90.4 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.142 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 78.9 mtm180 -65.95 -40.42 91.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.357 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.03 -42.4 94.39 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.284 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.01 91.32 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.522 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -58.21 -47.42 83.55 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.431 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.92 -42.11 98.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.915 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.5 -39.4 77.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.422 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.32 -48.0 83.37 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.38 -45.75 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.977 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.63 94.79 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.16 -42.66 59.58 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.568 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.91 89.96 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.352 0.703 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.737 -178.868 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 5' ' ' ILE . 50.1 mt . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 46.76 27.92 0.74 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -62.67 -40.87 98.43 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.398 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.24 81.95 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.838 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.17 -41.16 94.9 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.962 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.4 -43.43 94.44 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.539 0.685 . . . . 0.0 109.792 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.75 -38.46 91.17 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.819 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -62.86 -49.68 73.9 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.9 -41.77 99.55 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-O 121.56 0.695 . . . . 0.0 111.019 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.35 -41.25 88.75 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.513 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.9 ttp -68.1 -44.68 75.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.738 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mmm -62.16 -43.52 98.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.25 -37.7 78.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.306 0.574 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.01 -20.94 44.22 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.303 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.63 12.47 18.84 Favored 'General case' 0 CA--C 1.496 -1.125 0 O-C-N 123.837 0.711 . . . . 0.0 109.772 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 19' ' ' ALA . 5.3 tppt? -23.07 118.26 0.04 OUTLIER 'General case' 0 C--N 1.372 1.586 0 O-C-N 124.129 0.893 . . . . 0.0 110.492 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.62 173.94 11.16 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.266 0.978 . . . . 0.0 109.342 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -49.05 121.92 11.07 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 124.999 1.437 . . . . 0.0 110.109 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -69.04 -16.56 40.71 Favored 'Trans proline' 0 N--CA 1.528 3.538 0 C-N-CA 122.251 1.967 . . . . 0.0 112.736 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -91.06 -2.21 57.67 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.931 0.77 . . . . 0.0 111.777 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.26 155.93 37.75 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -99.47 167.61 10.51 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.518 1.136 . . . . 0.0 108.105 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.74 -44.63 96.44 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.237 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 m -56.42 -40.65 75.06 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.79 -45.66 64.29 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.303 0.573 . . . . 0.0 111.434 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.68 -46.61 81.69 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.383 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.56 -39.38 91.63 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.668 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -37.59 74.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.871 0.732 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.47 -41.77 60.18 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.075 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -95.13 1.11 54.79 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.376 0.671 . . . . 0.0 110.161 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.49 -37.81 50.93 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.73 -11.68 59.83 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.928 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -70.97 142.05 51.02 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -69.7 -33.84 73.08 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.926 0.766 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.04 -29.63 70.97 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.024 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -68.0 -48.08 66.74 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.482 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -69.12 -10.65 58.69 Favored 'General case' 0 N--CA 1.504 2.256 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.11 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.65 88.15 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.227 0.955 . . . . 0.0 109.704 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.5 mt -83.53 128.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.55 -45.17 11.33 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -77.87 115.33 17.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.189 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -65.9 -35.18 79.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.893 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -61.26 -38.15 85.67 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.997 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.11 -34.78 79.23 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.423 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.17 -43.98 96.73 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.449 0.642 . . . . 0.0 109.469 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -65.44 -43.57 90.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.726 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.61 78.02 Favored 'General case' 0 C--N 1.362 1.151 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.21 -43.11 99.06 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.69 -46.97 87.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.141 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.12 -42.16 98.95 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.046 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.56 -39.63 77.27 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.621 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.09 -48.01 83.69 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.485 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.15 -45.84 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.351 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.43 95.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.57 -41.88 65.24 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 123.694 0.621 . . . . 0.0 111.334 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.55 89.99 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.502 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 . . . . . 0 C--N 1.361 1.099 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.545 -178.834 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.1 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.792 0.33 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtm 40.37 34.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.31 -38.17 87.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.579 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.99 99.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.18 -40.89 94.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.73 -38.58 86.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -63.49 -40.37 96.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.83 -48.33 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.41 -41.4 98.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.69 -33.99 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 tpt -75.26 -38.53 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.525 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 mmm -67.01 -44.58 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 12.1 pt-20 -69.01 -35.37 76.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -7.52 56.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.612 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.594 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -99.16 16.27 23.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 19' ' ' ALA . 26.7 mmtp -21.47 117.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -135.74 172.8 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -49.62 122.34 13.11 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.539 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.85 -16.88 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.748 2.299 . . . . 0.0 112.158 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.43 0.03 57.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 158.79 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.2 p -101.78 168.24 9.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.606 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.62 -42.07 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -56.7 -41.18 76.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.3 -42.54 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.41 -43.5 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.39 -38.08 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.99 68.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.46 -37.15 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.35 0.88 46.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.89 -39.72 59.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -80.38 11.97 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.47 140.62 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 m -69.4 -23.01 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -72.44 -17.65 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.48 -50.27 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -73.17 -4.93 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mt -97.82 118.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.546 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.47 -42.59 87.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.51 137.82 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.6 mtt -100.74 -12.96 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.08 -38.51 91.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -66.36 -35.86 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.62 -41.1 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.79 -40.48 95.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.98 83.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.89 -41.46 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.8 -41.39 97.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.61 -36.98 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.94 -48.39 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.11 -44.21 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.42 89.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.486 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.36 89.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -178.853 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 39.31 37.12 0.24 Allowed 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.388 0.613 . . . . 0.0 111.232 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.11 -36.49 77.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.035 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.7 79.13 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.907 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.62 -43.69 92.94 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.359 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.46 -42.92 91.79 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.243 0.544 . . . . 0.0 110.104 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.02 -38.37 90.83 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.058 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CA ' HH21 ' A' ' 39' ' ' ARG . 67.5 t80 -65.0 -49.75 69.01 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.072 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.74 -42.77 99.4 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.645 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.19 -40.63 82.02 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 113.701 -1.591 . . . . 0.0 109.045 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.23 -42.51 79.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.729 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -42.87 99.24 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.65 -38.39 77.1 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.253 0.549 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.5 -20.48 47.16 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.23 10.14 23.2 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 21.9 tptp -22.99 117.49 0.04 OUTLIER 'General case' 0 C--N 1.382 1.989 0 O-C-N 124.018 0.824 . . . . 0.0 109.457 -173.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -135.32 173.61 11.53 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.024 0.827 . . . . 0.0 109.611 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -49.61 121.26 11.81 Favored Pre-proline 0 CA--C 1.591 2.555 0 O-C-N 123.899 0.749 . . . . 0.0 110.033 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.78 -17.14 42.24 Favored 'Trans proline' 0 N--CA 1.522 3.151 0 C-N-CA 122.261 1.974 . . . . 0.0 112.139 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.46 -2.74 57.94 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.8 0.44 . . . . 0.0 111.348 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.04 157.44 36.11 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -101.43 166.78 10.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.86 -43.43 98.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.008 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -57.78 -42.85 84.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.744 0.418 . . . . 0.0 110.81 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.56 -44.89 69.96 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.112 0.482 . . . . 0.0 110.732 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -64.67 -44.69 89.55 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 121.116 0.484 . . . . 0.0 111.309 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.8 -39.09 93.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.039 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.39 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.909 0.484 . . . . 0.0 110.465 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -71.24 -42.08 69.31 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.759 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.55 2.07 54.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 123.445 0.466 . . . . 0.0 109.985 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.08 -38.07 62.23 Favored 'General case' 0 N--CA 1.505 2.32 0 C-N-CA 122.455 0.302 . . . . 0.0 110.685 -176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.69 -13.44 60.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.14 141.17 58.86 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 m -65.56 -26.62 67.96 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.905 0.482 . . . . 0.0 110.287 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 HH21 ' CA ' ' A' ' 12' ' ' PHE . 66.7 mtp85 -70.32 -24.05 62.94 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.532 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -67.67 -52.31 39.53 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -74.85 -16.18 60.69 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.46 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.71 -34.92 78.94 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -93.0 119.65 41.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.44 -42.36 75.07 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.125 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.17 108.71 21.47 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.6 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.43 -9.81 58.77 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.569 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.2 -40.86 94.78 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.325 0.583 . . . . 0.0 110.273 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.75 -37.04 86.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -64.31 -40.18 95.41 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.39 0.614 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.03 -42.25 99.72 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.653 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.75 76.5 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.83 -41.97 95.32 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.457 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.32 -48.04 83.12 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.691 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.81 -41.13 99.16 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.813 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.24 -41.85 80.56 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.038 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.22 -48.56 80.95 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.89 -45.52 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.028 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.64 95.73 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.605 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.57 66.37 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.39 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.7 92.07 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.583 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 N--CA 1.483 1.177 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.567 -179.549 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.9 mmm 46.66 23.27 0.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.794 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.21 -44.1 95.43 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.224 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.09 79.09 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.885 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.41 -40.11 92.96 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.951 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.3 -40.04 96.25 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -69.29 -32.5 71.7 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.809 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' HA ' HH22 ' A' ' 39' ' ' ARG . 52.2 t80 -64.41 -54.66 29.19 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.144 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -64.69 -38.83 92.35 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.464 0.65 . . . . 0.0 110.779 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.08 -43.8 98.34 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.835 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -68.84 -45.58 70.77 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.702 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mmm -63.02 -42.6 99.83 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.45 -38.41 77.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.43 -23.15 40.5 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.747 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -88.76 12.78 14.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.7 tppt? -23.11 117.59 0.04 OUTLIER 'General case' 0 C--N 1.386 2.192 0 O-C-N 123.859 0.724 . . . . 0.0 109.59 -174.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.65 172.8 12.44 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.305 1.003 . . . . 0.0 109.374 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -49.02 121.92 11.0 Favored Pre-proline 0 CA--C 1.605 3.058 0 O-C-N 123.823 0.702 . . . . 0.0 110.358 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.19 -18.81 39.53 Favored 'Trans proline' 0 N--CA 1.526 3.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.42 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -88.05 -4.45 58.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 123.771 0.669 . . . . 0.0 111.395 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 153.37 42.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -96.5 164.53 12.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.18 -44.24 97.6 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.761 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -59.44 -38.02 79.61 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.24 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -71.29 -45.51 62.93 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 121.043 0.449 . . . . 0.0 109.949 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.66 -44.73 89.47 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.212 0.529 . . . . 0.0 110.994 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.07 -39.36 93.14 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.318 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.93 76.2 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -70.84 -43.31 68.79 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -96.31 2.72 53.06 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 123.13 0.268 . . . . 0.0 110.95 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.19 -36.6 61.13 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.631 0.372 . . . . 0.0 110.609 -177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 -13.27 59.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.419 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.5 139.61 53.88 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -63.07 -21.36 66.12 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.03 0.443 . . . . 0.0 110.857 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' A' ' 12' ' ' PHE . 29.0 mtp85 -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.773 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.54 -45.32 72.5 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.323 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -78.44 -14.96 59.14 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.2 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -36.5 81.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.081 0.552 . . . . 0.0 109.777 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -96.32 118.12 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -70.1 -42.1 73.14 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.56 106.44 18.41 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.53 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 mtm -70.64 -11.97 61.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.987 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.95 -41.28 95.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.453 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.18 -36.71 85.06 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.146 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -65.67 -41.94 91.89 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.5 -43.41 94.21 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.615 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.43 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.103 0.478 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.32 -41.46 98.91 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.883 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.59 -46.04 90.13 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.859 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.44 -41.46 98.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.917 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.08 -39.81 78.82 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.7 -48.61 79.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.428 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.33 -44.77 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.66 92.85 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.72 59.91 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.194 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.62 86.97 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 C--N 1.364 1.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.573 1.85 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 70.5 mtm 39.13 38.24 0.3 Allowed 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.157 0.503 . . . . 0.0 110.573 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.62 -37.85 85.46 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.148 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.78 94.22 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.526 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -65.48 -43.46 90.2 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -39.32 90.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.72 -38.74 92.24 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.61 -48.91 77.35 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.201 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.18 -41.59 99.23 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.244 0.545 . . . . 0.0 110.865 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.28 -42.02 90.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.948 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.2 tpt -67.15 -43.87 81.21 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mmm -63.0 -42.93 99.98 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 123.402 0.681 . . . . 0.0 112.127 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.13 -29.37 66.28 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.64 -19.01 23.14 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.273 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.76 6.53 45.62 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.306 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ALA . 14.9 mmmt -23.54 116.16 0.04 OUTLIER 'General case' 0 C--N 1.393 2.481 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 -175.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.71 172.86 12.36 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.925 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -45.72 119.67 4.75 Favored Pre-proline 0 CA--C 1.6 2.877 0 O-C-N 123.751 0.657 . . . . 0.0 110.238 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.88 -16.84 41.66 Favored 'Trans proline' 0 N--CA 1.524 3.298 0 C-N-CA 122.572 2.181 . . . . 0.0 112.053 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -89.58 -4.86 57.66 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 123.725 0.64 . . . . 0.0 111.224 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.54 151.92 42.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -93.09 169.17 10.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.05 -44.08 97.93 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 123.644 0.59 . . . . 0.0 110.997 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -58.29 -37.56 75.28 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.65 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -72.2 -44.95 62.21 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 122.299 0.239 . . . . 0.0 110.874 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.61 -46.02 80.91 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-O 121.133 0.492 . . . . 0.0 110.896 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.45 -40.42 93.22 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.537 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.11 81.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.67 -44.15 64.79 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.676 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -94.76 1.66 55.46 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.727 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.72 -35.68 44.01 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 122.777 0.431 . . . . 0.0 110.563 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.77 -11.92 60.0 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.544 0.527 . . . . 0.0 110.784 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.03 142.73 55.8 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -66.79 -33.03 74.73 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.198 0.599 . . . . 0.0 111.534 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -66.29 -25.47 66.87 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.77 -52.13 33.7 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.433 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -76.14 -15.31 60.1 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.26 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.16 82.93 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.014 0.526 . . . . 0.0 109.687 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.7 mt -86.08 119.22 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.71 -44.29 64.43 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.162 0.506 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -80.65 106.46 12.68 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.5 ptm -66.49 -26.57 67.24 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.568 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.82 -39.3 93.89 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.9 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.22 -37.53 87.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -65.91 -41.06 91.94 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.0 -42.86 94.09 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.05 87.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.49 -42.44 98.53 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.717 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.43 -48.26 82.32 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.332 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.62 -41.8 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.646 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.4 -40.21 77.5 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.94 -48.71 79.21 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.17 -44.91 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.104 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.19 94.61 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.76 58.73 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.29 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.83 82.65 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.339 0.59 . . . . 0.0 110.632 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 5' ' ' ILE . 60.2 mt . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt 49.06 20.93 0.43 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.196 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.77 -46.22 89.86 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.65 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.94 99.15 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -65.9 -43.31 88.59 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.179 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -66.6 -40.3 88.81 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.95 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -62.62 -38.65 91.07 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.49 -46.97 86.04 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.174 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.4 -43.01 99.84 Favored 'General case' 0 N--CA 1.506 2.327 0 C-N-CA 123.186 0.594 . . . . 0.0 111.216 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.01 -40.0 91.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.643 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.2 tpt -68.64 -45.9 70.6 Favored 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.94 -43.36 99.0 Favored 'General case' 0 N--CA 1.512 2.66 0 C-N-CA 123.435 0.694 . . . . 0.0 112.6 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -37.62 74.99 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -80.44 -21.89 41.69 Favored 'General case' 0 N--CA 1.507 2.378 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.69 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.1 7.71 33.64 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.0 tppp? -23.58 117.83 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 123.967 0.792 . . . . 0.0 109.556 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.28 173.2 11.98 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.172 0.92 . . . . 0.0 109.45 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -45.96 120.43 5.34 Favored Pre-proline 0 CA--C 1.597 2.788 0 O-C-N 123.766 0.667 . . . . 0.0 110.159 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.26 -17.03 40.02 Favored 'Trans proline' 0 N--CA 1.52 3.037 0 C-N-CA 122.567 2.178 . . . . 0.0 112.04 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -88.64 -6.31 57.59 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 123.502 0.501 . . . . 0.0 111.119 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 151.32 45.11 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -94.38 169.72 10.01 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.07 -43.39 98.96 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.889 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.09 -38.96 77.39 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.499 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.61 -44.38 64.53 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.27 -45.54 84.07 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.97 -39.79 90.69 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.219 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.64 79.92 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.19 -43.44 64.5 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.244 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -94.54 2.58 55.67 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 123.118 0.261 . . . . 0.0 110.881 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.97 -38.7 57.54 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.608 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -78.04 -13.34 59.91 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.51 0.506 . . . . 0.0 110.656 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.46 140.74 58.9 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.38 -33.86 76.83 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.822 0.449 . . . . 0.0 111.142 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -68.67 -23.37 64.4 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.19 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 72.6 t80 -70.82 -53.07 16.68 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.23 -16.46 61.41 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.792 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.5 75.19 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.026 0.53 . . . . 0.0 109.983 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 mm -91.47 118.88 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -69.26 -43.14 74.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.832 0.853 . . . . 0.0 110.592 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -84.32 134.67 34.5 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.459 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 15.0 ptt? -94.19 -24.76 17.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.996 0.919 . . . . 0.0 109.333 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -63.99 -40.08 95.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.191 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.42 -39.54 94.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 86.5 mtm180 -65.5 -38.93 91.14 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.453 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.02 -41.84 97.32 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.86 83.73 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 120.986 0.422 . . . . 0.0 110.553 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.56 -41.4 96.33 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.038 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.2 -47.65 84.52 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.692 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.24 -41.64 98.6 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.88 -40.74 79.05 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.54 -48.57 80.44 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.723 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.13 -45.26 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.88 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.85 63.44 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.912 0.485 . . . . 0.0 111.412 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.95 90.42 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.662 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 CA--C 1.563 1.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.493 -179.378 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.6 mpt? 39.84 34.4 0.17 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.108 0.48 . . . . 0.0 110.544 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.63 -38.51 90.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.188 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.52 94.93 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.257 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.82 -42.45 90.58 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.45 -35.22 79.72 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.481 0.657 . . . . 0.0 110.24 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -70.82 -35.44 72.5 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.203 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.71 -52.66 59.53 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.183 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -61.83 -39.32 91.4 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 122.133 0.968 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.94 -40.34 92.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.505 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.35 -43.86 69.33 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.52 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mmm -62.91 -42.69 99.88 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.4 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.49 -36.39 76.48 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.555 0.693 . . . . 0.0 109.98 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.1 -21.05 36.96 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.11 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.51 11.16 24.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 18.1 tptm -23.57 118.16 0.04 OUTLIER 'General case' 0 C--N 1.364 1.211 0 O-C-N 124.062 0.851 . . . . 0.0 109.502 -174.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -135.51 173.71 11.42 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -46.41 116.78 3.86 Favored Pre-proline 0 CA--C 1.575 1.939 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.298 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.68 -18.53 37.33 Favored 'Trans proline' 0 N--CA 1.508 2.382 0 C-N-CA 122.501 2.134 . . . . 0.0 112.381 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -88.67 -4.53 58.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.404 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.34 152.89 41.79 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -90.96 163.3 14.4 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.24 -45.35 94.91 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.3 p -60.2 -36.88 78.64 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.34 -46.57 60.23 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.108 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.72 -45.14 83.84 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.257 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -62.56 -41.77 99.12 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.058 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.17 79.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.197 0.522 . . . . 0.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -70.96 -44.24 66.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.809 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.05 3.79 49.31 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.725 0.41 . . . . 0.0 110.215 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.21 -34.09 43.97 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.396 0.435 . . . . 0.0 110.081 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.46 -11.69 59.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.646 0.591 . . . . 0.0 110.869 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.68 140.7 55.44 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.34 -32.97 74.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.122 0.569 . . . . 0.0 110.592 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.24 -24.75 68.01 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.68 -47.01 64.75 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 121.692 0.758 . . . . 0.0 109.849 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -76.64 -12.21 59.97 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.588 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.66 87.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.4 mt -96.41 117.87 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.14 -42.92 75.35 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.003 0.814 . . . . 0.0 110.945 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 43' ' ' ILE . 63.4 mttp -80.39 133.56 35.91 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.833 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -94.51 -22.01 18.51 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -39.54 94.05 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.269 0.556 . . . . 0.0 110.802 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.7 -35.8 82.23 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.789 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.2 -41.56 94.4 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.72 -42.76 97.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.23 81.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.248 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.54 -43.4 97.21 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.078 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.73 -47.72 83.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.053 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -61.8 -41.52 97.86 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.875 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -69.87 -39.66 76.19 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.032 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.47 -48.84 79.28 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.403 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -64.2 -45.26 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.152 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.16 93.39 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.743 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.17 57.44 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.504 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt 46.78 23.06 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.689 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.06 -44.81 91.88 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.141 -177.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.34 74.21 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.43 -40.84 93.78 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.997 0.519 . . . . 0.0 111.286 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.37 -39.69 94.37 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.54 62.33 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.586 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -69.52 -54.76 12.62 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -61.02 -44.16 97.82 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.572 0.701 . . . . 0.0 110.458 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.23 -42.13 94.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.88 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.88 -44.31 97.27 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 123.709 0.63 . . . . 0.0 109.588 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.9 mmm -61.95 -39.59 92.64 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 122.907 0.483 . . . . 0.0 112.059 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.32 -53.68 40.24 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.968 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.41 -19.45 61.59 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.499 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.08 6.1 34.32 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.3 tptp -23.71 117.11 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 124.214 0.946 . . . . 0.0 109.167 -174.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -134.82 172.72 12.58 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.021 0.826 . . . . 0.0 109.338 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -47.16 120.89 6.98 Favored Pre-proline 0 CA--C 1.606 3.105 0 O-C-N 123.67 0.606 . . . . 0.0 110.356 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.88 -19.04 40.98 Favored 'Trans proline' 0 N--CA 1.535 3.963 0 C-N-CA 122.602 2.201 . . . . 0.0 112.705 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -88.69 -4.89 58.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 123.912 0.757 . . . . 0.0 111.387 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.51 154.75 41.55 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 m -97.91 164.85 12.2 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -60.58 -44.17 96.5 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.794 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -58.97 -41.13 86.81 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -70.06 -46.55 64.72 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.002 0.429 . . . . 0.0 110.58 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -64.16 -45.24 89.33 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.96 -39.66 93.82 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.197 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.76 76.16 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.29 -45.05 63.98 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.586 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.82 2.41 55.47 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 122.835 0.454 . . . . 0.0 110.807 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.23 -36.37 52.15 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 122.868 0.467 . . . . 0.0 110.686 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.78 -13.31 59.88 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.711 0.632 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.64 134.52 51.29 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -64.12 -26.72 68.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.215 0.531 . . . . 0.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -69.36 -27.48 65.37 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 124.375 1.07 . . . . 0.0 110.956 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.41 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 77.7 t80 -69.71 -47.73 62.08 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-O 121.388 0.613 . . . . 0.0 109.354 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -74.9 -13.97 60.6 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.26 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.53 81.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.232 0.613 . . . . 0.0 109.632 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.62 120.98 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.61 -45.76 20.88 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.412 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -72.27 124.75 25.72 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.027 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.5 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 27.2 ttt -80.41 -37.07 32.87 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.465 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.81 -37.35 84.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.332 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.18 -39.78 94.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.822 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.1 mtm180 -65.25 -43.46 91.26 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.19 -42.88 93.16 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.59 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.0 -42.36 99.82 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.071 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.28 -46.42 89.91 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.87 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.52 -41.5 98.89 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.981 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.91 -40.28 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.073 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.25 -49.38 77.34 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.597 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.08 -45.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 123.322 0.389 . . . . 0.0 110.006 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.01 95.54 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.579 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.78 67.04 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 122.975 0.51 . . . . 0.0 111.439 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.08 92.03 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.489 1.511 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.94 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 5' ' ' ILE . 66.4 mt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.784 0.802 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 47.34 20.12 0.15 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.505 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.71 -47.57 85.1 Favored 'General case' 0 C--N 1.376 1.752 0 C-N-CA 122.719 0.407 . . . . 0.0 110.58 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.14 99.55 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.799 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.77 -44.29 86.27 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -64.77 -40.69 95.69 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.88 -47.66 82.35 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -42.25 99.61 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 120.854 0.359 . . . . 0.0 110.781 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.14 -40.81 91.11 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.539 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 tpt -66.15 -45.04 82.42 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mmm -63.71 -43.45 96.53 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.1 -29.11 65.99 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -91.21 -18.48 24.36 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 123.202 0.601 . . . . 0.0 110.974 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.73 11.73 21.37 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 118.839 -0.601 . . . . 0.0 110.374 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.4 mmtt -24.17 116.14 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.873 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 124.576 1.172 . . . . 0.0 108.599 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.69 ' H ' HD22 ' A' ' 22' ' ' ASN . 2.2 m-80 -49.31 121.48 11.31 Favored Pre-proline 0 CA--C 1.606 3.115 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.424 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.6 -15.92 41.89 Favored 'Trans proline' 0 N--CA 1.528 3.501 0 C-N-CA 122.286 1.991 . . . . 0.0 112.298 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -90.86 -4.29 56.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.6 0.563 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 153.11 42.56 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -97.64 168.34 10.41 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.932 0.77 . . . . 0.0 109.104 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.51 -43.87 96.62 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.061 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -57.59 -42.04 82.39 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.448 0.299 . . . . 0.0 110.93 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.26 -45.23 66.85 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 120.69 0.281 . . . . 0.0 111.057 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -65.99 -44.76 83.91 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.062 0.458 . . . . 0.0 111.224 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.89 -39.97 91.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.325 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.36 77.08 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.44 -43.34 63.93 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.453 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -95.43 1.96 54.33 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 122.566 0.346 . . . . 0.0 110.936 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -35.38 49.7 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 122.523 0.329 . . . . 0.0 110.561 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.12 -11.87 59.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.268 0.355 . . . . 0.0 110.814 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.0 137.67 57.27 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -62.27 -33.43 74.61 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.363 0.602 . . . . 0.0 111.375 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -24.59 64.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.76 -52.27 32.23 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -73.57 -16.03 61.27 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.209 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.64 78.13 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.2 mt -89.25 119.05 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.54 -43.82 68.75 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.04 0.936 . . . . 0.0 110.869 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.36 111.65 16.96 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.359 0.6 . . . . 0.0 112.048 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.9 -33.52 75.77 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.869 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.86 -38.66 89.11 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.08 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.54 -43.1 95.06 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.632 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.21 -42.19 93.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.69 89.27 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.151 0.5 . . . . 0.0 110.347 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.44 -42.3 98.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.66 -47.92 84.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -62.81 -41.54 99.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.11 -40.85 82.45 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.879 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.97 -48.09 81.92 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.783 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.64 -45.09 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.43 92.29 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.18 64.47 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.439 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.54 90.63 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 63.5 mt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.4 mtt 43.61 26.99 0.14 Allowed 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.54 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.83 -39.93 78.81 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.925 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.77 91.07 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.27 -43.15 92.15 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.447 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.34 -42.45 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.65 -37.26 85.66 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.189 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.69 -48.59 76.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.652 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.87 -42.21 97.58 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 122.66 0.384 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.36 -41.39 93.58 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.314 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.85 -44.98 83.85 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.395 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.7 -43.12 99.63 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.23 -38.67 75.26 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.066 0.46 . . . . 0.0 109.999 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.1 -25.48 43.03 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.397 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -86.49 10.85 14.02 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ALA . 40.0 tptt -24.94 116.13 0.05 OUTLIER 'General case' 0 C--N 1.397 2.665 0 O-C-N 124.015 0.822 . . . . 0.0 109.404 -174.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -133.83 171.83 13.63 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 124.523 1.139 . . . . 0.0 108.862 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.89 122.27 9.13 Favored Pre-proline 0 CA--C 1.603 3.008 0 O-C-N 123.569 0.543 . . . . 0.0 110.633 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.42 -16.75 43.72 Favored 'Trans proline' 0 N--CA 1.53 3.674 0 C-N-CA 122.392 2.061 . . . . 0.0 112.263 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -89.61 -6.89 55.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 123.767 0.667 . . . . 0.0 110.993 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.54 46.28 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -95.8 169.44 10.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CD2' ' OE2' ' A' ' 50' ' ' GLU . 81.0 t80 -60.24 -43.77 95.78 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.704 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -57.85 -41.44 82.37 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.881 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.08 -45.42 67.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 120.925 0.393 . . . . 0.0 110.413 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.01 -44.16 90.12 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.498 0.666 . . . . 0.0 111.376 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.13 -38.45 88.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.325 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.59 83.83 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 123.143 0.277 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -69.57 -42.38 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.046 0.538 . . . . 0.0 111.596 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -97.1 0.96 49.4 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.67 -37.14 49.24 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.532 0.333 . . . . 0.0 110.721 -177.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -81.68 -11.17 59.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.466 0.479 . . . . 0.0 110.663 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.46 140.85 58.64 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -61.79 -34.91 76.75 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.31 -28.03 66.81 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.947 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.78 -50.75 63.57 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.168 0.509 . . . . 0.0 111.119 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -75.74 -15.91 60.21 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.019 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.58 76.09 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.7 mm -89.72 114.13 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.06 -43.56 70.94 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.592 0.757 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.13 127.25 32.95 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.955 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.8 ttp -88.08 -27.43 21.97 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -63.04 -39.27 94.23 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.51 -34.16 77.61 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -65.03 -39.3 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 27' ' ' PHE . 72.7 mm-40 -59.94 -43.39 95.0 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -51.67 68.34 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.85 -43.77 95.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.607 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.77 -49.0 79.26 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.315 0.579 . . . . 0.0 109.909 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.9 -41.57 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.674 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -68.28 -41.27 81.26 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.924 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.06 -49.26 76.68 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.99 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.22 -44.62 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.99 92.54 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.03 -40.54 68.36 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.324 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.91 91.52 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.464 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.827 0.346 . . . . 0.0 110.563 -179.436 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.6 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 48.03 20.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.399 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.18 -43.18 96.07 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.65 96.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.027 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.51 -42.08 92.45 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.09 -40.58 94.8 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.869 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -63.29 -41.29 98.97 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.575 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.75 -49.39 75.22 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' NZ ' HD22 ' A' ' 52' ' ' LEU . 43.6 mmtm -62.65 -42.53 99.65 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.492 0.663 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.53 -41.15 93.85 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.337 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.78 -42.08 86.64 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.513 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.99 -42.89 89.19 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.59 -42.46 78.19 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.218 0.532 . . . . 0.0 111.653 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -17.17 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.786 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.75 8.55 34.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 123.466 0.479 . . . . 0.0 109.973 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 19.1 tptm -22.76 118.39 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 O-C-N 124.043 0.84 . . . . 0.0 109.573 -174.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -135.23 173.37 11.79 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 123.954 0.784 . . . . 0.0 109.619 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -46.39 121.6 6.34 Favored Pre-proline 0 CA--C 1.584 2.273 0 O-C-N 123.942 0.776 . . . . 0.0 110.355 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.36 -16.72 39.41 Favored 'Trans proline' 0 N--CA 1.519 3.004 0 C-N-CA 122.382 2.055 . . . . 0.0 112.464 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -90.56 -3.12 57.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 123.641 0.588 . . . . 0.0 111.155 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.4 152.32 42.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.9 p -98.14 169.01 9.9 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 124.061 0.851 . . . . 0.0 108.74 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -60.25 -44.34 95.36 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.988 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -57.94 -39.96 79.34 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.414 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.01 -44.21 66.36 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.164 0.507 . . . . 0.0 111.044 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.68 -46.04 84.12 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.34 -38.41 90.04 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.327 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.15 83.79 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.405 0.441 . . . . 0.0 110.275 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -71.51 -43.33 66.69 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.761 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -94.4 5.13 52.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 123.498 0.499 . . . . 0.0 109.968 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.08 -39.42 59.71 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.608 0.242 . . . . 0.0 110.643 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -77.8 0.01 25.41 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.5 127.62 32.64 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.4 t -60.19 -24.24 64.63 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.027 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.44 -24.54 63.83 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.619 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.01 -47.21 60.06 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.053 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -73.62 -12.87 60.89 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.057 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.11 82.73 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.539 0.524 . . . . 0.0 109.731 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -92.21 116.11 32.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.82 -44.14 64.42 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.977 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.08 128.14 33.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.094 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 tpp -87.84 -27.61 22.13 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.909 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -62.86 -39.77 95.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.091 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.39 -37.37 87.26 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.83 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -65.65 -40.71 92.78 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -42.46 99.08 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.421 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 -46.59 88.22 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 85.7 mt -64.5 -42.89 95.55 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.438 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.21 -46.98 87.86 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.636 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.61 -40.65 97.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.39 -41.32 80.69 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.36 -48.09 82.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.85 -45.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.2 94.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.71 67.09 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.516 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.67 95.2 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.679 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 . . . . . 0 CA--C 1.551 1.006 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.683 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 5' ' ' ILE . 57.6 mt . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.4 mtm 50.07 20.55 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.936 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.1 -48.33 80.65 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.23 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.13 94.05 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.989 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.56 -42.72 91.52 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.959 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.32 -39.46 93.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -62.18 -40.13 95.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.725 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -62.03 -50.18 73.05 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.498 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.22 -42.03 99.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.806 0.812 . . . . 0.0 111.453 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.27 -40.91 87.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.247 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.5 tpt -68.65 -43.6 75.89 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mmm -61.74 -43.01 99.68 Favored 'General case' 0 N--CA 1.508 2.438 0 C-N-CA 123.338 0.655 . . . . 0.0 112.525 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.25 -38.19 78.32 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.688 0.756 . . . . 0.0 109.627 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.9 -21.65 43.71 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.641 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.18 11.26 21.55 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.2 tppp? -23.39 118.38 0.04 OUTLIER 'General case' 0 C--N 1.38 1.916 0 O-C-N 124.063 0.852 . . . . 0.0 109.651 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.15 173.67 11.46 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 123.676 0.61 . . . . 0.0 109.397 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -48.66 121.7 10.12 Favored Pre-proline 0 CA--C 1.586 2.347 0 O-C-N 124.048 0.842 . . . . 0.0 110.224 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.1 -16.71 40.55 Favored 'Trans proline' 0 N--CA 1.529 3.599 0 C-N-CA 122.153 1.902 . . . . 0.0 112.504 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -90.27 -4.01 57.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.549 0.53 . . . . 0.0 111.321 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.86 154.18 40.71 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 p -98.01 168.08 10.5 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 124.448 1.092 . . . . 0.0 108.081 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.37 -43.83 96.19 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.024 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -57.99 -42.09 84.39 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.69 -45.31 68.59 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.26 0.552 . . . . 0.0 111.268 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.29 -46.85 81.81 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.341 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.37 -38.81 91.16 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.442 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.95 80.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 123.559 0.537 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.91 -44.27 63.95 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.893 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -93.89 4.21 54.25 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.32 -38.53 53.5 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -81.46 -10.78 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.717 0.407 . . . . 0.0 111.023 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.27 133.2 47.6 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.1 m -62.56 -34.77 77.63 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 123.288 0.635 . . . . 0.0 110.465 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -63.0 -28.78 70.34 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.746 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.15 -47.12 68.93 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 121.733 0.778 . . . . 0.0 109.791 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.36 -10.47 59.14 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.493 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -35.79 81.9 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.0 mm -84.96 123.31 39.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.29 -44.66 12.66 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.535 0.734 . . . . 0.0 110.077 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.95 113.84 16.25 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.645 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -38.99 93.15 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.39 -37.71 81.64 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.131 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.96 -34.56 78.26 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.897 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.69 -42.87 99.51 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.134 0.492 . . . . 0.0 109.835 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.19 -42.44 93.6 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.747 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.3 73.95 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 121.01 0.433 . . . . 0.0 110.21 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.14 -42.43 93.84 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.489 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.92 -48.36 82.02 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.994 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.89 -40.9 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.866 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -67.25 -43.49 81.76 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.13 -48.17 82.85 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.931 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.87 -45.8 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 123.863 0.727 . . . . 0.0 110.045 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.24 96.33 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.443 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.38 67.14 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.551 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.25 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.708 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.562 -179.148 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.2 mt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt 44.39 32.04 0.67 Allowed 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 120.96 0.409 . . . . 0.0 111.054 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -60.18 -39.32 86.06 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 123.174 0.59 . . . . 0.0 111.075 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.95 83.15 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.361 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.74 -42.79 90.53 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.26 -38.76 92.43 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.246 0.546 . . . . 0.0 109.558 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -68.82 -29.93 68.38 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.247 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.12 -52.89 44.28 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -62.26 -40.59 96.73 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 123.235 0.614 . . . . 0.0 110.469 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 -43.33 98.04 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.682 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.4 tpt -67.11 -46.17 75.0 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.551 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.0 mmm -63.31 -43.5 97.65 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.38 -42.6 68.2 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.408 0.623 . . . . 0.0 110.11 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.4 -38.91 68.31 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.489 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -79.15 17.15 0.82 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 17.9 tptm -24.28 118.01 0.05 OUTLIER 'General case' 0 C--N 1.385 2.135 0 O-C-N 123.939 0.775 . . . . 0.0 109.213 -174.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -134.72 173.21 11.94 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.348 1.03 . . . . 0.0 109.089 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -48.18 121.1 8.79 Favored Pre-proline 0 CA--C 1.609 3.24 0 O-C-N 123.692 0.62 . . . . 0.0 110.36 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.35 -16.42 39.27 Favored 'Trans proline' 0 N--CA 1.526 3.437 0 C-N-CA 122.573 2.182 . . . . 0.0 111.578 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -90.18 -5.01 56.9 Favored 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 123.186 0.595 . . . . 0.0 110.945 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.59 157.09 38.6 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -100.24 165.97 11.22 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.463 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.5 -45.87 64.81 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 120.967 0.413 . . . . 0.0 110.113 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -65.19 -43.64 90.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.097 0.475 . . . . 0.0 111.141 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.26 -38.54 90.63 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.918 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.56 81.5 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 122.722 0.409 . . . . 0.0 110.386 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.68 -42.32 70.88 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.198 0.599 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.67 0.75 50.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 122.707 0.403 . . . . 0.0 110.473 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.69 -35.57 55.73 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 122.325 0.25 . . . . 0.0 110.589 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -77.69 -12.72 60.0 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.593 0.558 . . . . 0.0 110.413 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.25 142.86 56.77 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -69.99 -18.49 63.33 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.85 -24.95 60.95 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.601 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.69 -52.23 47.05 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 121.123 0.487 . . . . 0.0 110.698 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -73.74 -16.67 61.17 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.798 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.99 79.2 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.133 0.573 . . . . 0.0 109.941 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.9 115.73 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -70.15 -41.45 73.83 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.09 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -85.45 107.46 17.42 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.263 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.56 73.91 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 123.653 0.781 . . . . 0.0 109.505 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.23 -38.38 86.45 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.686 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.04 -36.8 85.51 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -64.14 -41.23 97.27 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.25 -40.74 96.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.773 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.51 70.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.07 -40.55 96.5 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.522 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.09 -46.53 89.28 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.236 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.04 -40.55 78.51 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.012 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.26 -49.33 77.51 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.558 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.76 -45.28 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.74 93.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.72 60.39 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 122.972 0.509 . . . . 0.0 111.152 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.39 88.05 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.556 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.36 0.6 . . . . 0.0 110.312 179.573 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.3 mt . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 44.43 28.01 0.27 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 121.221 0.534 . . . . 0.0 110.288 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.43 -39.34 90.43 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.691 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.54 93.85 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 123.922 0.764 . . . . 0.0 110.699 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.41 -43.39 90.71 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.037 0.535 . . . . 0.0 111.039 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.46 -42.84 95.71 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.06 -40.56 98.06 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.372 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -63.55 -50.49 69.31 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -62.11 -40.68 96.71 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-O 121.852 0.834 . . . . 0.0 110.878 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -57.83 -38.74 76.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.044 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 tpt -67.84 -43.33 79.78 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.637 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.3 mtp -61.05 -43.86 98.25 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.96 -37.71 75.88 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-O 121.209 0.528 . . . . 0.0 109.59 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -80.46 -20.6 43.4 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.634 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.82 6.18 45.39 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.2 tptp -24.19 117.47 0.05 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 O-C-N 124.19 0.931 . . . . 0.0 109.245 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -136.25 173.6 11.53 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.81 0.693 . . . . 0.0 109.385 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.629 ' H ' HD22 ' A' ' 22' ' ' ASN . 3.4 m-80 -45.63 120.27 4.91 Favored Pre-proline 0 CA--C 1.59 2.483 0 O-C-N 123.73 0.644 . . . . 0.0 110.552 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -17.73 42.03 Favored 'Trans proline' 0 N--CA 1.528 3.534 0 C-N-CA 122.254 1.969 . . . . 0.0 112.518 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -89.83 -5.06 57.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.652 0.595 . . . . 0.0 111.342 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 155.08 40.5 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 m -95.31 166.54 11.84 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -61.3 -43.29 99.12 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.98 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -58.49 -41.05 84.44 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.19 -45.23 70.44 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.253 0.549 . . . . 0.0 110.596 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.0 -45.81 84.03 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.358 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.69 -39.8 91.66 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.243 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.81 74.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 123.584 0.553 . . . . 0.0 109.84 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.62 -43.77 62.84 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.696 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -94.81 2.55 55.49 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 123.101 0.56 . . . . 0.0 110.544 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.49 -38.37 59.31 Favored 'General case' 0 N--CA 1.503 2.175 0 C-N-CA 122.846 0.458 . . . . 0.0 110.928 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.06 -13.53 59.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.66 141.48 58.76 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.97 -35.38 81.01 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.317 0.647 . . . . 0.0 111.396 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.55 -25.43 66.65 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.411 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.65 -51.54 40.92 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.969 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -75.3 -15.68 60.49 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.35 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.87 82.01 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.22 119.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.34 -44.91 61.94 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.353 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.31 124.24 27.87 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.429 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -82.97 -25.79 31.95 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -64.37 -39.07 93.15 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.92 -37.72 88.57 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.639 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -66.15 -41.44 90.42 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 121.164 0.507 . . . . 0.0 110.097 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.21 -42.68 96.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.213 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.8 83.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -63.03 -44.15 96.74 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.907 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.21 -47.92 83.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.149 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -61.62 -43.43 98.87 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.906 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.79 -38.52 76.7 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.715 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -61.07 -48.71 80.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -64.09 -45.62 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 123.528 0.518 . . . . 0.0 110.219 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.68 96.5 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.725 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.71 61.2 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.475 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.19 86.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.617 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.765 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 47.17 19.85 0.12 Allowed 'General case' 0 C--N 1.389 2.286 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.13 -48.78 78.61 Favored 'General case' 0 C--N 1.369 1.446 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.76 88.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.762 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.41 -41.69 93.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.891 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -65.91 -39.11 90.28 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.827 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -62.17 -38.62 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.074 0.859 . . . . 0.0 109.391 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.27 -50.18 72.73 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.511 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.24 -41.09 99.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.577 0.704 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.67 -39.95 82.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.019 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.54 -44.16 71.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -44.11 97.9 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.36 -37.47 77.64 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.133 0.492 . . . . 0.0 109.956 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.98 -20.54 41.66 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.348 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.24 9.37 28.88 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 19' ' ' ALA . 41.0 tptt -22.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.288 0 O-C-N 124.05 0.844 . . . . 0.0 109.431 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -135.39 173.7 11.43 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.527 1.142 . . . . 0.0 109.862 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -49.8 123.32 14.84 Favored Pre-proline 0 CA--C 1.597 2.774 0 O-C-N 123.865 0.728 . . . . 0.0 110.385 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.09 -16.68 40.57 Favored 'Trans proline' 0 N--CA 1.521 3.124 0 C-N-CA 122.347 2.031 . . . . 0.0 112.393 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -90.24 -4.2 57.34 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 123.674 0.609 . . . . 0.0 111.228 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.27 152.66 43.07 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.8 p -97.57 165.62 11.9 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.99 -44.05 97.98 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.043 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -59.2 -39.32 82.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.313 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -70.51 -45.98 64.55 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.124 0.488 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.49 -44.87 89.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.16 -39.3 92.75 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.354 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.22 79.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.361 0.413 . . . . 0.0 109.969 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.38 -43.35 67.05 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.86 3.61 54.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.439 0.462 . . . . 0.0 110.339 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.71 -35.77 56.24 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 122.574 0.349 . . . . 0.0 110.58 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -78.82 -11.98 60.01 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.45 139.81 57.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.53 -21.58 66.72 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.126 0.488 . . . . 0.0 111.857 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -70.34 -24.53 63.01 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.426 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -70.28 -52.39 23.29 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.434 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.89 -15.27 60.71 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.105 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.5 77.86 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.153 0.581 . . . . 0.0 109.57 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 mm -95.72 119.68 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -70.33 -41.56 73.07 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.098 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.92 108.31 20.68 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.746 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.56 -10.27 59.51 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -65.26 -40.93 94.61 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.205 0.526 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.11 -36.87 85.65 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -65.15 -41.74 94.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.79 -43.32 96.67 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.9 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.409 0.624 . . . . 0.0 110.484 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.56 -42.71 95.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.93 -47.59 85.17 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.754 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.45 -40.76 97.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -68.58 -41.03 80.24 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.313 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.47 -48.66 80.12 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.189 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.51 95.15 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.527 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.38 -41.72 66.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.554 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.98 93.71 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.825 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 N--CA 1.489 1.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.628 -179.314 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 5' ' ' ILE . 55.9 mt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 43.88 32.35 0.6 Allowed 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 121.134 0.492 . . . . 0.0 111.066 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -64.37 -41.38 96.74 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.741 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -49.04 78.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.08 -42.35 89.5 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.328 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.69 -39.51 93.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.295 0.569 . . . . 0.0 109.506 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -63.52 -35.03 79.11 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.65 -50.27 69.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.33 -40.99 98.84 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.417 0.627 . . . . 0.0 110.64 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.04 -42.69 94.98 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.06 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.25 -46.13 71.31 Favored 'General case' 0 CA--C 1.568 1.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.77 -42.67 99.8 Favored 'General case' 0 N--CA 1.509 2.521 0 C-N-CA 123.309 0.644 . . . . 0.0 112.576 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.78 -38.72 76.78 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.67 -23.83 42.2 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.672 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.98 6.88 33.78 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.7 tptt -24.65 117.11 0.05 Allowed 'General case' 0 C--N 1.396 2.596 0 O-C-N 124.287 0.992 . . . . 0.0 109.256 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -134.85 173.22 11.95 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.951 0.782 . . . . 0.0 109.42 -176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.88 119.98 4.06 Favored Pre-proline 0 CA--C 1.6 2.886 0 O-C-N 123.766 0.666 . . . . 0.0 110.514 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.79 -17.61 42.06 Favored 'Trans proline' 0 N--CA 1.528 3.546 0 C-N-CA 122.353 2.035 . . . . 0.0 112.168 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -88.8 -6.61 57.26 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.564 0.54 . . . . 0.0 111.058 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 152.81 42.25 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -94.87 168.42 10.81 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.006 0.816 . . . . 0.0 108.86 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -60.59 -42.76 97.38 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.707 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.6 t -58.51 -42.25 87.26 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.471 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.58 -45.0 73.2 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.582 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -64.73 -45.01 88.33 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.131 0.491 . . . . 0.0 110.978 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.46 -38.22 89.19 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.368 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.33 79.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.262 0.351 . . . . 0.0 110.198 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.6 -42.59 70.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 122.701 0.4 . . . . 0.0 111.479 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -95.26 1.2 54.47 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 122.499 0.32 . . . . 0.0 110.585 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.13 -39.04 63.18 Favored 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 122.665 0.386 . . . . 0.0 110.549 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -77.18 -14.59 59.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.089 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.61 139.3 58.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.4 t -62.43 -22.06 65.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.087 0.47 . . . . 0.0 111.042 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -69.81 -25.79 63.94 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.08 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -68.09 -51.59 44.68 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 121.057 0.455 . . . . 0.0 111.104 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -76.46 -14.87 60.02 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.628 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.43 80.6 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.146 0.578 . . . . 0.0 109.901 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.12 117.17 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.65 -43.34 69.39 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.79 0.836 . . . . 0.0 110.569 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -91.87 107.33 19.13 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.502 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.4 mtt -72.41 -11.25 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.323 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.71 -41.33 92.41 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -34.65 78.74 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -65.15 -42.55 93.65 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.48 -44.5 86.9 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.55 77.08 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.224 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.01 -42.3 99.8 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.763 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -58.17 -46.68 85.32 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.07 -41.54 98.27 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.09 -40.26 78.52 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.55 -49.04 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.662 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.7 t -64.32 -45.2 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.61 95.36 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.03 62.4 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.681 0.393 . . . . 0.0 111.325 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.67 91.47 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.709 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.6 mt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 44.85 26.07 0.18 Allowed 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.337 0.589 . . . . 0.0 110.054 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -59.93 -41.83 92.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.424 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.39 98.95 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.091 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -65.38 -44.73 86.62 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.289 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -66.0 -41.09 91.5 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.446 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.1 -39.21 91.7 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.2 -48.76 76.94 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.125 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.21 -42.56 99.41 Favored 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.374 0.607 . . . . 0.0 111.619 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.07 -39.3 85.56 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.339 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.68 -44.51 90.09 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.0 mtp -63.99 -43.17 96.53 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 17.4 pt-20 -68.45 -32.46 72.49 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.7 -19.32 26.29 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 123.174 0.59 . . . . 0.0 111.065 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -93.17 10.39 31.95 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.36 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ALA . 53.0 mtmt -26.29 119.79 0.08 Allowed 'General case' 0 C--N 1.416 3.493 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -173.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -133.73 172.56 12.6 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.45 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -47.18 120.89 7.01 Favored Pre-proline 0 CA--C 1.605 3.079 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.561 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.25 -17.03 44.86 Favored 'Trans proline' 0 N--CA 1.53 3.661 0 C-N-CA 122.372 2.048 . . . . 0.0 112.243 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -89.62 -5.37 57.21 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.5 0.5 . . . . 0.0 111.028 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 151.86 43.64 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -96.46 169.24 10.05 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.058 0.849 . . . . 0.0 108.907 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.46 -44.1 93.05 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.531 0.732 . . . . 0.0 110.597 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -58.05 -43.27 86.78 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.675 0.39 . . . . 0.0 111.076 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.55 -45.42 68.79 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.01 -45.68 84.53 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.211 0.529 . . . . 0.0 111.103 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.25 -39.93 89.83 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.86 73.49 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -73.45 -43.69 59.77 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.99 1.64 55.23 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 122.54 0.336 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.91 -36.82 50.22 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 122.866 0.466 . . . . 0.0 110.225 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -81.12 -12.08 59.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.433 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.93 140.12 58.31 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -65.06 -33.49 76.15 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.49 0.662 . . . . 0.0 111.249 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 -25.21 63.44 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.996 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -69.17 -51.96 32.89 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 120.924 0.392 . . . . 0.0 110.731 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -72.69 -14.64 61.62 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.655 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.15 79.03 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.308 0.643 . . . . 0.0 109.469 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.2 mt -79.92 123.72 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 pm0 -80.97 -44.17 18.57 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.413 0.685 . . . . 0.0 109.538 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.2 108.91 9.45 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.859 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.4 ttp -64.94 -36.85 85.7 Favored 'General case' 0 CA--C 1.57 1.741 0 CA-C-O 121.386 0.613 . . . . 0.0 110.181 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.26 -37.31 82.64 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.921 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -35.29 80.59 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -43.68 98.44 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.368 1.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.533 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.73 74.78 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.837 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.31 -41.99 96.57 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.764 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.6 -47.89 84.2 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.177 0.513 . . . . 0.0 110.078 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.15 -41.3 99.24 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.783 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.31 -42.29 79.61 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.78 -48.18 81.81 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.503 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -44.79 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.54 93.54 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.783 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.14 57.41 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.73 87.97 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 122.582 0.353 . . . . 0.0 110.4 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.516 0.674 . . . . 0.0 110.524 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.245 0.826 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 81.4 mtp 38.16 25.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.033 0.533 . . . . 0.0 111.947 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.209 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.49 95.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.118 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -65.4 -43.07 91.76 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.652 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -65.61 -39.19 91.26 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.09 -37.91 89.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.353 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.91 -48.24 81.35 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.857 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.02 -41.61 99.59 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 121.616 0.722 . . . . 0.0 111.024 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.81 -39.06 87.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.0 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 tpt -69.96 -43.79 70.81 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.32 -41.37 96.85 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.09 -42.93 83.79 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.03 0.443 . . . . 0.0 111.595 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.45 -16.78 53.58 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.042 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.66 4.92 47.98 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.917 0.487 . . . . 0.0 109.711 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.0 tptp -23.91 118.44 0.04 OUTLIER 'General case' 0 C--N 1.376 1.745 0 O-C-N 124.354 1.034 . . . . 0.0 109.568 -173.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.54 173.27 11.9 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 123.819 0.699 . . . . 0.0 109.345 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.81 119.84 3.97 Favored Pre-proline 0 CA--C 1.582 2.205 0 O-C-N 124.016 0.823 . . . . 0.0 110.319 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -69.12 -17.4 40.48 Favored 'Trans proline' 0 N--CA 1.52 3.044 0 C-N-CA 122.171 1.914 . . . . 0.0 112.541 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.36 -5.78 57.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.733 0.645 . . . . 0.0 111.376 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 150.67 44.02 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -93.66 169.28 10.45 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.78 -42.64 97.94 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.754 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -58.38 -42.2 86.53 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.545 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -69.01 -44.86 71.92 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.982 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.68 -46.44 82.4 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.047 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.06 -39.64 93.57 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.199 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.33 79.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.618 0.574 . . . . 0.0 109.948 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.35 -44.11 65.69 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.839 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.94 3.19 55.24 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 123.587 0.555 . . . . 0.0 110.279 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.48 -36.83 55.88 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 120.77 0.319 . . . . 0.0 110.686 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.51 -13.31 60.1 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.076 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.7 140.65 58.89 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -68.08 -27.82 66.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.029 0.443 . . . . 0.0 111.396 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -70.65 -23.0 62.44 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.7 -53.07 24.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.079 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -74.68 -15.36 60.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.938 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.89 85.42 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.72 121.75 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -73.79 -45.34 52.15 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 123.523 0.729 . . . . 0.0 111.549 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.92 107.44 12.7 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.554 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.478 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 48.9 ttp -67.69 -35.33 78.63 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.123 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -59.27 -37.04 76.64 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.866 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.46 -39.01 93.33 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.631 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.2 mtm180 -64.53 -39.45 93.79 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.281 0.562 . . . . 0.0 110.823 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.62 -41.53 98.27 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.789 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.61 86.83 Favored 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.215 0.531 . . . . 0.0 110.057 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.12 -42.27 96.91 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.736 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.83 -48.06 82.65 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.926 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.7 -41.44 99.12 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.211 0.529 . . . . 0.0 110.024 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.88 -41.12 78.75 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.25 -48.29 82.11 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.582 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.21 -45.31 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.46 95.44 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.567 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.77 64.58 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.381 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.63 87.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.762 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.482 1.148 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.445 -179.065 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 mmt 44.02 31.48 0.53 Allowed 'General case' 0 N--CA 1.508 2.434 0 CA-C-O 120.938 0.399 . . . . 0.0 111.244 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.13 -41.56 96.95 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.966 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.51 73.81 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.494 0.317 . . . . 0.0 110.818 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -65.37 -41.65 93.57 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.715 0.406 . . . . 0.0 111.011 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.02 -43.52 95.37 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -63.2 -39.23 94.06 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.942 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -64.13 -50.62 67.52 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.36 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.19 -43.25 98.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.132 0.492 . . . . 0.0 110.512 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.61 -43.39 97.51 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.196 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.1 tpt -66.39 -43.31 86.21 Favored 'General case' 0 CA--C 1.576 1.974 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.975 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.2 mmm -65.17 -41.97 94.13 Favored 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -68.45 -39.25 81.52 Favored 'General case' 0 N--CA 1.512 2.641 0 O-C-N 122.203 -0.311 . . . . 0.0 111.085 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -16.07 41.01 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.175 0.59 . . . . 0.0 111.399 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.31 15.46 10.47 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.5 mmtt -23.66 116.08 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.232 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -175.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -132.88 169.95 16.03 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.681 1.238 . . . . 0.0 108.363 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -50.61 121.52 14.66 Favored Pre-proline 0 CA--C 1.604 3.048 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.346 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.09 -16.7 45.17 Favored 'Trans proline' 0 N--CA 1.532 3.762 0 C-N-CA 122.332 2.021 . . . . 0.0 112.143 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.12 -6.41 55.44 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 123.705 0.628 . . . . 0.0 111.196 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 156.12 39.86 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 m -97.27 164.99 12.25 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -60.59 -42.75 97.35 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.465 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.7 t -58.65 -41.74 86.77 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.839 0.456 . . . . 0.0 110.783 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.75 -43.78 79.1 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 120.945 0.403 . . . . 0.0 110.087 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.43 -45.1 85.2 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 121.211 0.529 . . . . 0.0 110.951 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.88 -38.65 89.35 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.735 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.36 84.75 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.033 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -71.03 -43.38 68.02 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.022 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -92.81 3.95 54.72 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 122.462 0.305 . . . . 0.0 110.897 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -40.64 61.95 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 122.586 0.355 . . . . 0.0 110.677 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -79.38 0.22 30.05 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.785 0.434 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -82.72 124.93 30.69 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.9 p -57.45 -27.93 62.89 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.718 0.407 . . . . 0.0 110.499 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -64.95 -28.2 69.36 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 44.2 t80 -68.43 -45.13 73.38 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.433 0.635 . . . . 0.0 110.012 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.61 -11.42 60.64 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.513 -1.222 . . . . 0.0 111.158 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.1 90.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.024 0.53 . . . . 0.0 110.487 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 43' ' ' ILE . 3.1 mp -85.36 129.09 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -87.31 -44.01 11.73 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.356 0.598 . . . . 0.0 109.514 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.4 141.83 41.3 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.139 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -103.07 -26.38 13.07 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 123.803 0.841 . . . . 0.0 110.239 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.3 -35.24 80.41 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' NH1' ' CE2' ' A' ' 40' ' ' PHE . 78.3 mtt180 -64.49 -44.9 89.51 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.53 -43.93 88.46 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.612 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.77 75.04 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.081 0.467 . . . . 0.0 110.334 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.0 -42.67 97.09 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.52 -46.72 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.959 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.07 -41.42 98.15 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.259 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.98 -40.19 83.17 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.88 -48.09 82.08 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.821 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.71 -44.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.14 93.29 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.61 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.93 -41.58 61.86 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.852 0.461 . . . . 0.0 111.534 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.18 90.23 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.907 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.74 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.243 0.754 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.8 mtt 46.32 21.52 0.12 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.704 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.83 -45.22 93.61 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.882 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.22 87.04 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.13 -43.39 95.39 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.312 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.79 -43.24 93.84 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.649 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.43 94.81 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.124 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -64.28 -49.7 70.82 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.822 0.82 . . . . 0.0 110.276 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.24 -44.07 97.4 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.926 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.32 -36.5 75.76 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.639 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 tpt -70.85 -43.17 69.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.1 mmm -61.64 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.411 -176.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.62 -35.72 75.52 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.114 0.483 . . . . 0.0 110.638 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.8 -17.92 45.89 Favored 'General case' 0 C--N 1.367 1.351 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.379 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.54 5.91 50.32 Favored 'General case' 0 CA--C 1.491 -1.322 0 O-C-N 124.651 1.219 . . . . 0.0 109.538 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 19' ' ' ALA . 36.9 ttpt -25.82 120.45 0.07 Allowed 'General case' 0 C--N 1.362 1.141 0 O-C-N 124.189 0.931 . . . . 0.0 110.743 -175.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -135.85 172.69 12.64 Favored 'General case' 0 CA--C 1.481 -1.688 0 O-C-N 124.538 1.149 . . . . 0.0 109.77 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.9 m-80 -43.38 108.59 0.69 Allowed Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 125.113 1.508 . . . . 0.0 109.05 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.44 -31.9 92.55 Favored 'Trans proline' 0 N--CA 1.532 3.79 0 C-N-CA 122.584 2.189 . . . . 0.0 113.3 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -74.31 -5.16 40.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.358 1.036 . . . . 0.0 111.803 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 160.15 30.25 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.0 p -98.84 166.99 11.04 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 124.533 1.146 . . . . 0.0 108.714 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.96 -44.51 97.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.489 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -56.08 -41.0 74.44 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.262 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.31 -44.47 71.69 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.56 0.695 . . . . 0.0 110.969 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.52 -46.33 83.4 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.09 -39.52 94.23 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.23 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.93 77.99 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 123.459 0.474 . . . . 0.0 110.382 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -72.71 -41.82 64.83 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 123.585 0.553 . . . . 0.0 111.833 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.12 2.72 53.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 124.337 1.023 . . . . 0.0 110.03 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.71 -37.6 51.57 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.522 0.329 . . . . 0.0 110.178 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.15 -10.4 59.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.44 141.82 57.79 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -67.01 -30.78 70.98 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.329 0.585 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -68.94 -21.49 64.19 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.177 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.53 -52.32 18.87 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 124.14 0.9 . . . . 0.0 110.949 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.72 -12.94 60.06 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.752 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -35.99 82.1 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' LYS . 71.5 mt -92.33 123.05 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -71.91 -45.97 59.32 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.203 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 43' ' ' ILE . 68.5 mttm -79.68 135.07 36.45 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.254 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.414 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 14.2 ptt? -97.35 -23.48 16.09 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.218 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -63.4 -40.2 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 122.625 0.37 . . . . 0.0 111.409 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.61 -38.49 90.4 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.142 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 78.9 mtm180 -65.95 -40.42 91.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.357 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.03 -42.4 94.39 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.284 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.01 91.32 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.522 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -58.21 -47.42 83.55 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.431 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.92 -42.11 98.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.915 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.5 -39.4 77.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.422 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.32 -48.0 83.37 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.38 -45.75 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.977 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.63 94.79 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.16 -42.66 59.58 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.568 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.91 89.96 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.352 0.703 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.737 -178.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 5' ' ' ILE . 50.1 mt . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 46.76 27.92 0.74 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -62.67 -40.87 98.43 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.398 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.24 81.95 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.838 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.17 -41.16 94.9 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.962 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.4 -43.43 94.44 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.539 0.685 . . . . 0.0 109.792 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.75 -38.46 91.17 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.819 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -62.86 -49.68 73.9 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.9 -41.77 99.55 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-O 121.56 0.695 . . . . 0.0 111.019 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.35 -41.25 88.75 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.513 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.9 ttp -68.1 -44.68 75.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.738 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mmm -62.16 -43.52 98.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.25 -37.7 78.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.306 0.574 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.01 -20.94 44.22 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.303 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.63 12.47 18.84 Favored 'General case' 0 CA--C 1.496 -1.125 0 O-C-N 123.837 0.711 . . . . 0.0 109.772 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 19' ' ' ALA . 5.3 tppt? -23.07 118.26 0.04 OUTLIER 'General case' 0 C--N 1.372 1.586 0 O-C-N 124.129 0.893 . . . . 0.0 110.492 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.62 173.94 11.16 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.266 0.978 . . . . 0.0 109.342 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.531 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.6 m-80 -49.05 121.92 11.07 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 124.999 1.437 . . . . 0.0 110.109 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -69.04 -16.56 40.71 Favored 'Trans proline' 0 N--CA 1.528 3.538 0 C-N-CA 122.251 1.967 . . . . 0.0 112.736 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -91.06 -2.21 57.67 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.931 0.77 . . . . 0.0 111.777 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.26 155.93 37.75 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -99.47 167.61 10.51 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.518 1.136 . . . . 0.0 108.105 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.74 -44.63 96.44 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.237 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 m -56.42 -40.65 75.06 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.79 -45.66 64.29 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.303 0.573 . . . . 0.0 111.434 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.68 -46.61 81.69 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.383 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.56 -39.38 91.63 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.668 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -37.59 74.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.871 0.732 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.47 -41.77 60.18 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.075 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -95.13 1.11 54.79 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.376 0.671 . . . . 0.0 110.161 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.49 -37.81 50.93 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.73 -11.68 59.83 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.928 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -70.97 142.05 51.02 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -69.7 -33.84 73.08 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.926 0.766 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.04 -29.63 70.97 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.024 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -68.0 -48.08 66.74 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.482 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -69.12 -10.65 58.69 Favored 'General case' 0 N--CA 1.504 2.256 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.11 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.65 88.15 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.227 0.955 . . . . 0.0 109.704 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.5 mt -83.53 128.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.55 -45.17 11.33 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -77.87 115.33 17.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.189 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -65.9 -35.18 79.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.893 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -61.26 -38.15 85.67 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.997 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.11 -34.78 79.23 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.423 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.17 -43.98 96.73 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.449 0.642 . . . . 0.0 109.469 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -65.44 -43.57 90.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.726 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.61 78.02 Favored 'General case' 0 C--N 1.362 1.151 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.21 -43.11 99.06 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.69 -46.97 87.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.141 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.12 -42.16 98.95 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.046 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.56 -39.63 77.27 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.621 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.09 -48.01 83.69 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.485 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.15 -45.84 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.351 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.43 95.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.57 -41.88 65.24 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 123.694 0.621 . . . . 0.0 111.334 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.55 89.99 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.502 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 . . . . . 0 C--N 1.361 1.099 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.545 -178.834 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.1 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.792 0.33 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtm 40.37 34.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.31 -38.17 87.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.579 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.99 99.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.18 -40.89 94.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.73 -38.58 86.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -63.49 -40.37 96.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.83 -48.33 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.41 -41.4 98.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.69 -33.99 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 tpt -75.26 -38.53 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.525 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 mmm -67.01 -44.58 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 12.1 pt-20 -69.01 -35.37 76.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -7.52 56.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.612 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.594 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -99.16 16.27 23.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 19' ' ' ALA . 26.7 mmtp -21.47 117.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -135.74 172.8 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.536 ' H ' HD22 ' A' ' 22' ' ' ASN . 3.9 m-80 -49.62 122.34 13.11 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.85 -16.88 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.748 2.299 . . . . 0.0 112.158 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.43 0.03 57.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 158.79 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.2 p -101.78 168.24 9.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.606 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.62 -42.07 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -56.7 -41.18 76.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.3 -42.54 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.41 -43.5 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.39 -38.08 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.99 68.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.46 -37.15 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.35 0.88 46.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.89 -39.72 59.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -80.38 11.97 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.47 140.62 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 m -69.4 -23.01 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -72.44 -17.65 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.48 -50.27 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -73.17 -4.93 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mt -97.82 118.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.546 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.47 -42.59 87.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.51 137.82 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.6 mtt -100.74 -12.96 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.08 -38.51 91.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -66.36 -35.86 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.62 -41.1 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.79 -40.48 95.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.98 83.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.89 -41.46 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.8 -41.39 97.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.61 -36.98 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.94 -48.39 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.11 -44.21 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.42 89.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.486 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.36 89.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -178.853 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 39.31 37.12 0.24 Allowed 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.388 0.613 . . . . 0.0 111.232 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.11 -36.49 77.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.035 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.7 79.13 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.907 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.62 -43.69 92.94 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.359 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.46 -42.92 91.79 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.243 0.544 . . . . 0.0 110.104 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.02 -38.37 90.83 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.058 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CA ' HH21 ' A' ' 39' ' ' ARG . 67.5 t80 -65.0 -49.75 69.01 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.072 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.74 -42.77 99.4 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.645 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.19 -40.63 82.02 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 113.701 -1.591 . . . . 0.0 109.045 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.23 -42.51 79.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.729 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -42.87 99.24 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.65 -38.39 77.1 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.253 0.549 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.5 -20.48 47.16 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.23 10.14 23.2 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 21.9 tptp -22.99 117.49 0.04 OUTLIER 'General case' 0 C--N 1.382 1.989 0 O-C-N 124.018 0.824 . . . . 0.0 109.457 -173.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -135.32 173.61 11.53 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.024 0.827 . . . . 0.0 109.611 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.646 ' H ' HD22 ' A' ' 22' ' ' ASN . 2.9 m-80 -49.61 121.26 11.81 Favored Pre-proline 0 CA--C 1.591 2.555 0 O-C-N 123.899 0.749 . . . . 0.0 110.033 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.78 -17.14 42.24 Favored 'Trans proline' 0 N--CA 1.522 3.151 0 C-N-CA 122.261 1.974 . . . . 0.0 112.139 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.46 -2.74 57.94 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.8 0.44 . . . . 0.0 111.348 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.04 157.44 36.11 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -101.43 166.78 10.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.86 -43.43 98.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.008 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -57.78 -42.85 84.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.744 0.418 . . . . 0.0 110.81 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.56 -44.89 69.96 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.112 0.482 . . . . 0.0 110.732 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -64.67 -44.69 89.55 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 121.116 0.484 . . . . 0.0 111.309 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.8 -39.09 93.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.039 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.39 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.909 0.484 . . . . 0.0 110.465 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -71.24 -42.08 69.31 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.759 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.55 2.07 54.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 123.445 0.466 . . . . 0.0 109.985 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.08 -38.07 62.23 Favored 'General case' 0 N--CA 1.505 2.32 0 C-N-CA 122.455 0.302 . . . . 0.0 110.685 -176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.69 -13.44 60.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.14 141.17 58.86 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 m -65.56 -26.62 67.96 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.905 0.482 . . . . 0.0 110.287 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 HH21 ' CA ' ' A' ' 12' ' ' PHE . 66.7 mtp85 -70.32 -24.05 62.94 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.532 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -67.67 -52.31 39.53 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -74.85 -16.18 60.69 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.46 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.71 -34.92 78.94 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -93.0 119.65 41.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.44 -42.36 75.07 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.125 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.17 108.71 21.47 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.6 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.43 -9.81 58.77 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.569 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.2 -40.86 94.78 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.325 0.583 . . . . 0.0 110.273 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.75 -37.04 86.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -64.31 -40.18 95.41 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.39 0.614 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.03 -42.25 99.72 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.653 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.75 76.5 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.83 -41.97 95.32 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.457 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.32 -48.04 83.12 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.691 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.81 -41.13 99.16 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.813 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.24 -41.85 80.56 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.038 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.22 -48.56 80.95 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.89 -45.52 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.028 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.64 95.73 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.605 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.57 66.37 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.39 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.7 92.07 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.583 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 N--CA 1.483 1.177 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.567 -179.549 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.9 mmm 46.66 23.27 0.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.794 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.21 -44.1 95.43 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.224 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.09 79.09 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.885 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.41 -40.11 92.96 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.951 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.3 -40.04 96.25 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -69.29 -32.5 71.7 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.809 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.436 ' HA ' HH22 ' A' ' 39' ' ' ARG . 52.2 t80 -64.41 -54.66 29.19 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.144 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -64.69 -38.83 92.35 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.464 0.65 . . . . 0.0 110.779 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.08 -43.8 98.34 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.835 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -68.84 -45.58 70.77 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.702 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mmm -63.02 -42.6 99.83 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.45 -38.41 77.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.43 -23.15 40.5 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.747 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -88.76 12.78 14.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.7 tppt? -23.11 117.59 0.04 OUTLIER 'General case' 0 C--N 1.386 2.192 0 O-C-N 123.859 0.724 . . . . 0.0 109.59 -174.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.65 172.8 12.44 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.305 1.003 . . . . 0.0 109.374 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -49.02 121.92 11.0 Favored Pre-proline 0 CA--C 1.605 3.058 0 O-C-N 123.823 0.702 . . . . 0.0 110.358 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.19 -18.81 39.53 Favored 'Trans proline' 0 N--CA 1.526 3.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.42 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -88.05 -4.45 58.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 123.771 0.669 . . . . 0.0 111.395 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 153.37 42.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -96.5 164.53 12.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.18 -44.24 97.6 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.761 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -59.44 -38.02 79.61 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.24 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -71.29 -45.51 62.93 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 121.043 0.449 . . . . 0.0 109.949 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.66 -44.73 89.47 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.212 0.529 . . . . 0.0 110.994 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.07 -39.36 93.14 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.318 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.93 76.2 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -70.84 -43.31 68.79 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -96.31 2.72 53.06 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 123.13 0.268 . . . . 0.0 110.95 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.19 -36.6 61.13 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.631 0.372 . . . . 0.0 110.609 -177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 -13.27 59.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.419 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.5 139.61 53.88 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -63.07 -21.36 66.12 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.03 0.443 . . . . 0.0 110.857 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' A' ' 12' ' ' PHE . 29.0 mtp85 -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.773 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.54 -45.32 72.5 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.323 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -78.44 -14.96 59.14 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.2 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -36.5 81.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.081 0.552 . . . . 0.0 109.777 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -96.32 118.12 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -70.1 -42.1 73.14 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.56 106.44 18.41 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.53 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 mtm -70.64 -11.97 61.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.987 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.95 -41.28 95.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.453 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.18 -36.71 85.06 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.146 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -65.67 -41.94 91.89 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.5 -43.41 94.21 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.615 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.43 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.103 0.478 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.32 -41.46 98.91 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.883 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.59 -46.04 90.13 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.859 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.44 -41.46 98.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.917 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.08 -39.81 78.82 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.7 -48.61 79.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.428 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.33 -44.77 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.66 92.85 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.72 59.91 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.194 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.62 86.97 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 C--N 1.364 1.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.573 1.85 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 70.5 mtm 39.13 38.24 0.3 Allowed 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.157 0.503 . . . . 0.0 110.573 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.62 -37.85 85.46 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.148 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.78 94.22 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.526 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -65.48 -43.46 90.2 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -39.32 90.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.72 -38.74 92.24 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.61 -48.91 77.35 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.201 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.18 -41.59 99.23 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.244 0.545 . . . . 0.0 110.865 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.28 -42.02 90.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.948 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.2 tpt -67.15 -43.87 81.21 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mmm -63.0 -42.93 99.98 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 123.402 0.681 . . . . 0.0 112.127 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.13 -29.37 66.28 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.64 -19.01 23.14 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.273 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.76 6.53 45.62 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.306 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ALA . 14.9 mmmt -23.54 116.16 0.04 OUTLIER 'General case' 0 C--N 1.393 2.481 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 -175.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.71 172.86 12.36 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.925 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.546 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.6 m-80 -45.72 119.67 4.75 Favored Pre-proline 0 CA--C 1.6 2.877 0 O-C-N 123.751 0.657 . . . . 0.0 110.238 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.88 -16.84 41.66 Favored 'Trans proline' 0 N--CA 1.524 3.298 0 C-N-CA 122.572 2.181 . . . . 0.0 112.053 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -89.58 -4.86 57.66 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 123.725 0.64 . . . . 0.0 111.224 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.54 151.92 42.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -93.09 169.17 10.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.05 -44.08 97.93 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 123.644 0.59 . . . . 0.0 110.997 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -58.29 -37.56 75.28 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.65 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -72.2 -44.95 62.21 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 122.299 0.239 . . . . 0.0 110.874 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.61 -46.02 80.91 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-O 121.133 0.492 . . . . 0.0 110.896 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.45 -40.42 93.22 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.537 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.11 81.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.67 -44.15 64.79 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.676 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -94.76 1.66 55.46 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.727 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.72 -35.68 44.01 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 122.777 0.431 . . . . 0.0 110.563 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.77 -11.92 60.0 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.544 0.527 . . . . 0.0 110.784 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.03 142.73 55.8 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -66.79 -33.03 74.73 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.198 0.599 . . . . 0.0 111.534 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -66.29 -25.47 66.87 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.77 -52.13 33.7 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.433 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -76.14 -15.31 60.1 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.26 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.16 82.93 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.014 0.526 . . . . 0.0 109.687 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.7 mt -86.08 119.22 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.71 -44.29 64.43 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.162 0.506 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -80.65 106.46 12.68 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.5 ptm -66.49 -26.57 67.24 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.568 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.82 -39.3 93.89 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.9 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.22 -37.53 87.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -65.91 -41.06 91.94 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.0 -42.86 94.09 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.05 87.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.49 -42.44 98.53 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.717 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.43 -48.26 82.32 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.332 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.62 -41.8 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.646 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.4 -40.21 77.5 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.94 -48.71 79.21 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.17 -44.91 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.104 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.19 94.61 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.76 58.73 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.29 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.83 82.65 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.339 0.59 . . . . 0.0 110.632 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 5' ' ' ILE . 60.2 mt . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt 49.06 20.93 0.43 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.196 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.77 -46.22 89.86 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.65 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.94 99.15 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -65.9 -43.31 88.59 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.179 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -66.6 -40.3 88.81 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.95 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -62.62 -38.65 91.07 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.49 -46.97 86.04 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.174 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.4 -43.01 99.84 Favored 'General case' 0 N--CA 1.506 2.327 0 C-N-CA 123.186 0.594 . . . . 0.0 111.216 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.01 -40.0 91.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.643 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.2 tpt -68.64 -45.9 70.6 Favored 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.94 -43.36 99.0 Favored 'General case' 0 N--CA 1.512 2.66 0 C-N-CA 123.435 0.694 . . . . 0.0 112.6 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -37.62 74.99 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -80.44 -21.89 41.69 Favored 'General case' 0 N--CA 1.507 2.378 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.69 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.1 7.71 33.64 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.0 tppp? -23.58 117.83 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 123.967 0.792 . . . . 0.0 109.556 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.28 173.2 11.98 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.172 0.92 . . . . 0.0 109.45 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -45.96 120.43 5.34 Favored Pre-proline 0 CA--C 1.597 2.788 0 O-C-N 123.766 0.667 . . . . 0.0 110.159 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.26 -17.03 40.02 Favored 'Trans proline' 0 N--CA 1.52 3.037 0 C-N-CA 122.567 2.178 . . . . 0.0 112.04 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -88.64 -6.31 57.59 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 123.502 0.501 . . . . 0.0 111.119 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 151.32 45.11 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -94.38 169.72 10.01 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.07 -43.39 98.96 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.889 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.09 -38.96 77.39 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.499 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.61 -44.38 64.53 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.27 -45.54 84.07 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.97 -39.79 90.69 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.219 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.64 79.92 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.19 -43.44 64.5 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.244 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -94.54 2.58 55.67 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 123.118 0.261 . . . . 0.0 110.881 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.97 -38.7 57.54 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.608 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -78.04 -13.34 59.91 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.51 0.506 . . . . 0.0 110.656 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.46 140.74 58.9 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.38 -33.86 76.83 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.822 0.449 . . . . 0.0 111.142 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -68.67 -23.37 64.4 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.19 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 72.6 t80 -70.82 -53.07 16.68 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.23 -16.46 61.41 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.792 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.5 75.19 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.026 0.53 . . . . 0.0 109.983 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 mm -91.47 118.88 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -69.26 -43.14 74.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.832 0.853 . . . . 0.0 110.592 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -84.32 134.67 34.5 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.459 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 15.0 ptt? -94.19 -24.76 17.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.996 0.919 . . . . 0.0 109.333 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -63.99 -40.08 95.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.191 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.42 -39.54 94.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 86.5 mtm180 -65.5 -38.93 91.14 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.453 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.02 -41.84 97.32 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.86 83.73 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 120.986 0.422 . . . . 0.0 110.553 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.56 -41.4 96.33 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.038 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.2 -47.65 84.52 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.692 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.24 -41.64 98.6 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.88 -40.74 79.05 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.54 -48.57 80.44 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.723 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.13 -45.26 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.88 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.85 63.44 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.912 0.485 . . . . 0.0 111.412 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.95 90.42 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.662 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 CA--C 1.563 1.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.493 -179.378 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.6 mpt? 39.84 34.4 0.17 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.108 0.48 . . . . 0.0 110.544 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.63 -38.51 90.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.188 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.52 94.93 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.257 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.82 -42.45 90.58 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.45 -35.22 79.72 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.481 0.657 . . . . 0.0 110.24 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -70.82 -35.44 72.5 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.203 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.71 -52.66 59.53 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.183 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -61.83 -39.32 91.4 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 122.133 0.968 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.94 -40.34 92.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.505 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.35 -43.86 69.33 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.52 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mmm -62.91 -42.69 99.88 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.4 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.49 -36.39 76.48 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.555 0.693 . . . . 0.0 109.98 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.1 -21.05 36.96 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.11 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.51 11.16 24.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 18.1 tptm -23.57 118.16 0.04 OUTLIER 'General case' 0 C--N 1.364 1.211 0 O-C-N 124.062 0.851 . . . . 0.0 109.502 -174.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -135.51 173.71 11.42 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -46.41 116.78 3.86 Favored Pre-proline 0 CA--C 1.575 1.939 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.298 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.68 -18.53 37.33 Favored 'Trans proline' 0 N--CA 1.508 2.382 0 C-N-CA 122.501 2.134 . . . . 0.0 112.381 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -88.67 -4.53 58.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.404 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.34 152.89 41.79 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -90.96 163.3 14.4 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.24 -45.35 94.91 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.3 p -60.2 -36.88 78.64 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.34 -46.57 60.23 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.108 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.72 -45.14 83.84 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.257 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -62.56 -41.77 99.12 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.058 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.17 79.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.197 0.522 . . . . 0.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -70.96 -44.24 66.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.809 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.05 3.79 49.31 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.725 0.41 . . . . 0.0 110.215 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.21 -34.09 43.97 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.396 0.435 . . . . 0.0 110.081 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.46 -11.69 59.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.646 0.591 . . . . 0.0 110.869 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.68 140.7 55.44 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.34 -32.97 74.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.122 0.569 . . . . 0.0 110.592 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.24 -24.75 68.01 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.68 -47.01 64.75 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 121.692 0.758 . . . . 0.0 109.849 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -76.64 -12.21 59.97 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.588 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.66 87.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.4 mt -96.41 117.87 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.14 -42.92 75.35 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.003 0.814 . . . . 0.0 110.945 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 43' ' ' ILE . 63.4 mttp -80.39 133.56 35.91 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.833 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -94.51 -22.01 18.51 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -39.54 94.05 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.269 0.556 . . . . 0.0 110.802 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.7 -35.8 82.23 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.789 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.2 -41.56 94.4 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.72 -42.76 97.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.23 81.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.248 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.54 -43.4 97.21 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.078 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.73 -47.72 83.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.053 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.8 -41.52 97.86 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.875 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -69.87 -39.66 76.19 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.032 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.47 -48.84 79.28 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.403 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -64.2 -45.26 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.152 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.16 93.39 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.743 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.17 57.44 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.504 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt 46.78 23.06 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.689 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.06 -44.81 91.88 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.141 -177.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.34 74.21 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.43 -40.84 93.78 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.997 0.519 . . . . 0.0 111.286 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.37 -39.69 94.37 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.54 62.33 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.586 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -69.52 -54.76 12.62 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -61.02 -44.16 97.82 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.572 0.701 . . . . 0.0 110.458 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.23 -42.13 94.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.88 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.88 -44.31 97.27 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 123.709 0.63 . . . . 0.0 109.588 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.9 mmm -61.95 -39.59 92.64 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 122.907 0.483 . . . . 0.0 112.059 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.32 -53.68 40.24 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.968 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.41 -19.45 61.59 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.499 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.08 6.1 34.32 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.3 tptp -23.71 117.11 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 124.214 0.946 . . . . 0.0 109.167 -174.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -134.82 172.72 12.58 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.021 0.826 . . . . 0.0 109.338 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' H ' HD22 ' A' ' 22' ' ' ASN . 10.2 m-80 -47.16 120.89 6.98 Favored Pre-proline 0 CA--C 1.606 3.105 0 O-C-N 123.67 0.606 . . . . 0.0 110.356 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.88 -19.04 40.98 Favored 'Trans proline' 0 N--CA 1.535 3.963 0 C-N-CA 122.602 2.201 . . . . 0.0 112.705 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -88.69 -4.89 58.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 123.912 0.757 . . . . 0.0 111.387 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.51 154.75 41.55 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 m -97.91 164.85 12.2 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -60.58 -44.17 96.5 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.794 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -58.97 -41.13 86.81 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -70.06 -46.55 64.72 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.002 0.429 . . . . 0.0 110.58 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -64.16 -45.24 89.33 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.96 -39.66 93.82 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.197 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.76 76.16 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.29 -45.05 63.98 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.586 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.82 2.41 55.47 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 122.835 0.454 . . . . 0.0 110.807 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.23 -36.37 52.15 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 122.868 0.467 . . . . 0.0 110.686 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.78 -13.31 59.88 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.711 0.632 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.64 134.52 51.29 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -64.12 -26.72 68.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.215 0.531 . . . . 0.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -69.36 -27.48 65.37 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 124.375 1.07 . . . . 0.0 110.956 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 77.7 t80 -69.71 -47.73 62.08 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-O 121.388 0.613 . . . . 0.0 109.354 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -74.9 -13.97 60.6 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.26 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.53 81.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.232 0.613 . . . . 0.0 109.632 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.62 120.98 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.61 -45.76 20.88 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.412 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -72.27 124.75 25.72 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.027 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.5 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 27.2 ttt -80.41 -37.07 32.87 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.465 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.81 -37.35 84.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.332 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.18 -39.78 94.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.822 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.1 mtm180 -65.25 -43.46 91.26 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.19 -42.88 93.16 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.59 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.0 -42.36 99.82 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.071 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.28 -46.42 89.91 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.87 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.52 -41.5 98.89 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.981 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.91 -40.28 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.073 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.25 -49.38 77.34 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.597 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.08 -45.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 123.322 0.389 . . . . 0.0 110.006 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.01 95.54 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.579 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.78 67.04 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 122.975 0.51 . . . . 0.0 111.439 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.08 92.03 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.489 1.511 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.94 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 5' ' ' ILE . 66.4 mt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.784 0.802 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 47.34 20.12 0.15 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.505 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.71 -47.57 85.1 Favored 'General case' 0 C--N 1.376 1.752 0 C-N-CA 122.719 0.407 . . . . 0.0 110.58 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.14 99.55 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.799 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.77 -44.29 86.27 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -64.77 -40.69 95.69 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -62.88 -47.66 82.35 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -42.25 99.61 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 120.854 0.359 . . . . 0.0 110.781 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.14 -40.81 91.11 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.539 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 tpt -66.15 -45.04 82.42 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.5 mmm -63.71 -43.45 96.53 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.1 -29.11 65.99 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -91.21 -18.48 24.36 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 123.202 0.601 . . . . 0.0 110.974 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.73 11.73 21.37 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 118.839 -0.601 . . . . 0.0 110.374 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.4 mmtt -24.17 116.14 0.04 OUTLIER 'General case' 0 N--CA 1.516 2.873 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 124.576 1.172 . . . . 0.0 108.599 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.69 ' H ' HD22 ' A' ' 22' ' ' ASN . 2.2 m-80 -49.31 121.48 11.31 Favored Pre-proline 0 CA--C 1.606 3.115 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.424 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.6 -15.92 41.89 Favored 'Trans proline' 0 N--CA 1.528 3.501 0 C-N-CA 122.286 1.991 . . . . 0.0 112.298 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -90.86 -4.29 56.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.6 0.563 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 153.11 42.56 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.4 p -97.64 168.34 10.41 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.932 0.77 . . . . 0.0 109.104 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.51 -43.87 96.62 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.061 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -57.59 -42.04 82.39 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.448 0.299 . . . . 0.0 110.93 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.26 -45.23 66.85 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 120.69 0.281 . . . . 0.0 111.057 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -65.99 -44.76 83.91 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.062 0.458 . . . . 0.0 111.224 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.89 -39.97 91.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.325 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.36 77.08 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.44 -43.34 63.93 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.453 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -95.43 1.96 54.33 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 122.566 0.346 . . . . 0.0 110.936 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -35.38 49.7 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 122.523 0.329 . . . . 0.0 110.561 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.12 -11.87 59.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.268 0.355 . . . . 0.0 110.814 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.0 137.67 57.27 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -62.27 -33.43 74.61 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.363 0.602 . . . . 0.0 111.375 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -24.59 64.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.76 -52.27 32.23 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -73.57 -16.03 61.27 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.209 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.64 78.13 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.2 mt -89.25 119.05 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.54 -43.82 68.75 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.04 0.936 . . . . 0.0 110.869 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.36 111.65 16.96 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 121.359 0.6 . . . . 0.0 112.048 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.9 -33.52 75.77 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.869 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.86 -38.66 89.11 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.08 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.54 -43.1 95.06 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.632 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.21 -42.19 93.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.69 89.27 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.151 0.5 . . . . 0.0 110.347 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.44 -42.3 98.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -60.66 -47.92 84.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -62.81 -41.54 99.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.11 -40.85 82.45 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.879 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.97 -48.09 81.92 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.783 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.64 -45.09 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.43 92.29 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.18 64.47 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.439 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.54 90.63 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 63.5 mt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.4 mtt 43.61 26.99 0.14 Allowed 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.54 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.83 -39.93 78.81 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.925 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.77 91.07 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.27 -43.15 92.15 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.447 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.34 -42.45 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.65 -37.26 85.66 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.189 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.69 -48.59 76.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.652 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.87 -42.21 97.58 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 122.66 0.384 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.36 -41.39 93.58 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.314 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.85 -44.98 83.85 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.395 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.7 -43.12 99.63 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.23 -38.67 75.26 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-O 121.066 0.46 . . . . 0.0 109.999 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.1 -25.48 43.03 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.397 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -86.49 10.85 14.02 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ALA . 40.0 tptt -24.94 116.13 0.05 OUTLIER 'General case' 0 C--N 1.397 2.665 0 O-C-N 124.015 0.822 . . . . 0.0 109.404 -174.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -133.83 171.83 13.63 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 124.523 1.139 . . . . 0.0 108.862 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.89 122.27 9.13 Favored Pre-proline 0 CA--C 1.603 3.008 0 O-C-N 123.569 0.543 . . . . 0.0 110.633 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.42 -16.75 43.72 Favored 'Trans proline' 0 N--CA 1.53 3.674 0 C-N-CA 122.392 2.061 . . . . 0.0 112.263 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -89.61 -6.89 55.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 123.767 0.667 . . . . 0.0 110.993 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.54 46.28 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -95.8 169.44 10.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CD2' ' OE2' ' A' ' 50' ' ' GLU . 81.0 t80 -60.24 -43.77 95.78 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.704 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -57.85 -41.44 82.37 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.881 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.08 -45.42 67.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 120.925 0.393 . . . . 0.0 110.413 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.01 -44.16 90.12 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.498 0.666 . . . . 0.0 111.376 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.13 -38.45 88.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.325 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.59 83.83 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 123.143 0.277 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -69.57 -42.38 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.046 0.538 . . . . 0.0 111.596 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -97.1 0.96 49.4 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.67 -37.14 49.24 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 122.532 0.333 . . . . 0.0 110.721 -177.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -81.68 -11.17 59.18 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.466 0.479 . . . . 0.0 110.663 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.46 140.85 58.64 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -61.79 -34.91 76.75 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.31 -28.03 66.81 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.947 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.78 -50.75 63.57 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.168 0.509 . . . . 0.0 111.119 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -75.74 -15.91 60.21 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.019 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.58 76.09 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.7 mm -89.72 114.13 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.06 -43.56 70.94 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.592 0.757 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.13 127.25 32.95 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.955 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.8 ttp -88.08 -27.43 21.97 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -63.04 -39.27 94.23 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.51 -34.16 77.61 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -65.03 -39.3 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 27' ' ' PHE . 72.7 mm-40 -59.94 -43.39 95.0 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -51.67 68.34 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.85 -43.77 95.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.607 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.77 -49.0 79.26 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.315 0.579 . . . . 0.0 109.909 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.9 -41.57 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.674 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -68.28 -41.27 81.26 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.924 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.06 -49.26 76.68 Favored 'General case' 0 C--N 1.368 1.4 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.99 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.22 -44.62 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.99 92.54 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.03 -40.54 68.36 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.324 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.91 91.52 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.464 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.827 0.346 . . . . 0.0 110.563 -179.436 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.6 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 48.03 20.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.399 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.18 -43.18 96.07 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.65 96.73 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.027 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.51 -42.08 92.45 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.232 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.09 -40.58 94.8 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.869 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -63.29 -41.29 98.97 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.575 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.75 -49.39 75.22 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' NZ ' HD22 ' A' ' 52' ' ' LEU . 43.6 mmtm -62.65 -42.53 99.65 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.492 0.663 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.53 -41.15 93.85 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.337 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.78 -42.08 86.64 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.513 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.99 -42.89 89.19 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.59 -42.46 78.19 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.218 0.532 . . . . 0.0 111.653 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -17.17 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.786 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.75 8.55 34.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 123.466 0.479 . . . . 0.0 109.973 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 19.1 tptm -22.76 118.39 0.04 OUTLIER 'General case' 0 C--N 1.371 1.519 0 O-C-N 124.043 0.84 . . . . 0.0 109.573 -174.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -135.23 173.37 11.79 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 123.954 0.784 . . . . 0.0 109.619 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -46.39 121.6 6.34 Favored Pre-proline 0 CA--C 1.584 2.273 0 O-C-N 123.942 0.776 . . . . 0.0 110.355 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.36 -16.72 39.41 Favored 'Trans proline' 0 N--CA 1.519 3.004 0 C-N-CA 122.382 2.055 . . . . 0.0 112.464 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -90.56 -3.12 57.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 123.641 0.588 . . . . 0.0 111.155 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.4 152.32 42.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.9 p -98.14 169.01 9.9 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 124.061 0.851 . . . . 0.0 108.74 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -60.25 -44.34 95.36 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.988 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -57.94 -39.96 79.34 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.414 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.01 -44.21 66.36 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 121.164 0.507 . . . . 0.0 111.044 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.68 -46.04 84.12 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.34 -38.41 90.04 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.327 -179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.15 83.79 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 123.405 0.441 . . . . 0.0 110.275 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -71.51 -43.33 66.69 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.761 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -94.4 5.13 52.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 123.498 0.499 . . . . 0.0 109.968 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.08 -39.42 59.71 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.608 0.242 . . . . 0.0 110.643 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -77.8 0.01 25.41 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.5 127.62 32.64 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.4 t -60.19 -24.24 64.63 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.027 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.44 -24.54 63.83 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.619 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.01 -47.21 60.06 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.053 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -73.62 -12.87 60.89 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.057 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.11 82.73 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.539 0.524 . . . . 0.0 109.731 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.6 mm -92.21 116.11 32.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.82 -44.14 64.42 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.977 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.08 128.14 33.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.094 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 tpp -87.84 -27.61 22.13 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.909 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -62.86 -39.77 95.44 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.091 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.39 -37.37 87.26 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.83 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -65.65 -40.71 92.78 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -63.29 -42.46 99.08 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.421 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 -46.59 88.22 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 85.7 mt -64.5 -42.89 95.55 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.438 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.21 -46.98 87.86 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.636 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.61 -40.65 97.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.39 -41.32 80.69 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.224 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.36 -48.09 82.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.85 -45.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.2 94.78 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.612 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.71 67.09 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.516 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.67 95.2 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.679 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 . . . . . 0 CA--C 1.551 1.006 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.683 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 5' ' ' ILE . 57.6 mt . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.4 mtm 50.07 20.55 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.936 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.1 -48.33 80.65 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.23 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.13 94.05 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.989 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.56 -42.72 91.52 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.959 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.32 -39.46 93.96 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -62.18 -40.13 95.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.725 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -62.03 -50.18 73.05 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.498 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.22 -42.03 99.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.806 0.812 . . . . 0.0 111.453 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.27 -40.91 87.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.247 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.5 tpt -68.65 -43.6 75.89 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.4 mmm -61.74 -43.01 99.68 Favored 'General case' 0 N--CA 1.508 2.438 0 C-N-CA 123.338 0.655 . . . . 0.0 112.525 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.25 -38.19 78.32 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.688 0.756 . . . . 0.0 109.627 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.9 -21.65 43.71 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.641 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.18 11.26 21.55 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.2 tppp? -23.39 118.38 0.04 OUTLIER 'General case' 0 C--N 1.38 1.916 0 O-C-N 124.063 0.852 . . . . 0.0 109.651 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.15 173.67 11.46 Favored 'General case' 0 C--O 1.251 1.175 0 O-C-N 123.676 0.61 . . . . 0.0 109.397 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -48.66 121.7 10.12 Favored Pre-proline 0 CA--C 1.586 2.347 0 O-C-N 124.048 0.842 . . . . 0.0 110.224 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.1 -16.71 40.55 Favored 'Trans proline' 0 N--CA 1.529 3.599 0 C-N-CA 122.153 1.902 . . . . 0.0 112.504 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -90.27 -4.01 57.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 123.549 0.53 . . . . 0.0 111.321 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.86 154.18 40.71 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 p -98.01 168.08 10.5 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 124.448 1.092 . . . . 0.0 108.081 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.37 -43.83 96.19 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.024 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -57.99 -42.09 84.39 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.6 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.69 -45.31 68.59 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.26 0.552 . . . . 0.0 111.268 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -64.29 -46.85 81.81 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.341 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.37 -38.81 91.16 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.442 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.95 80.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 123.559 0.537 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.91 -44.27 63.95 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.893 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -93.89 4.21 54.25 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.32 -38.53 53.5 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -81.46 -10.78 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.717 0.407 . . . . 0.0 111.023 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.27 133.2 47.6 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.1 m -62.56 -34.77 77.63 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 123.288 0.635 . . . . 0.0 110.465 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -63.0 -28.78 70.34 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.746 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.15 -47.12 68.93 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 121.733 0.778 . . . . 0.0 109.791 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.36 -10.47 59.14 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.493 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 -35.79 81.9 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.0 mm -84.96 123.31 39.1 Favored 'Isoleucine or valine' 0 C--N 1.366 1.31 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.29 -44.66 12.66 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.535 0.734 . . . . 0.0 110.077 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.95 113.84 16.25 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.645 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 ttt -63.85 -38.99 93.15 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.39 -37.71 81.64 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.131 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.96 -34.56 78.26 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.897 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.69 -42.87 99.51 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.134 0.492 . . . . 0.0 109.835 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.19 -42.44 93.6 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.747 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.3 73.95 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 121.01 0.433 . . . . 0.0 110.21 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.14 -42.43 93.84 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.489 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.92 -48.36 82.02 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.994 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.89 -40.9 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.866 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -67.25 -43.49 81.76 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.13 -48.17 82.85 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.931 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.87 -45.8 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 123.863 0.727 . . . . 0.0 110.045 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.24 96.33 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.443 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.38 67.14 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.551 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.25 93.11 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.708 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.562 -179.148 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.2 mt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt 44.39 32.04 0.67 Allowed 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 120.96 0.409 . . . . 0.0 111.054 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -60.18 -39.32 86.06 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 123.174 0.59 . . . . 0.0 111.075 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.95 83.15 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.361 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.74 -42.79 90.53 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.26 -38.76 92.43 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.246 0.546 . . . . 0.0 109.558 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -68.82 -29.93 68.38 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.247 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.12 -52.89 44.28 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -62.26 -40.59 96.73 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 123.235 0.614 . . . . 0.0 110.469 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 -43.33 98.04 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.682 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.4 tpt -67.11 -46.17 75.0 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.551 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.0 mmm -63.31 -43.5 97.65 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.38 -42.6 68.2 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.408 0.623 . . . . 0.0 110.11 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.4 -38.91 68.31 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.489 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -79.15 17.15 0.82 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 19' ' ' ALA . 17.9 tptm -24.28 118.01 0.05 OUTLIER 'General case' 0 C--N 1.385 2.135 0 O-C-N 123.939 0.775 . . . . 0.0 109.213 -174.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -134.72 173.21 11.94 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.348 1.03 . . . . 0.0 109.089 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -48.18 121.1 8.79 Favored Pre-proline 0 CA--C 1.609 3.24 0 O-C-N 123.692 0.62 . . . . 0.0 110.36 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.35 -16.42 39.27 Favored 'Trans proline' 0 N--CA 1.526 3.437 0 C-N-CA 122.573 2.182 . . . . 0.0 111.578 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -90.18 -5.01 56.9 Favored 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 123.186 0.595 . . . . 0.0 110.945 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.59 157.09 38.6 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -100.24 165.97 11.22 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.4 p -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.463 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.5 -45.87 64.81 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 120.967 0.413 . . . . 0.0 110.113 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -65.19 -43.64 90.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.097 0.475 . . . . 0.0 111.141 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.26 -38.54 90.63 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.918 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.56 81.5 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 122.722 0.409 . . . . 0.0 110.386 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.68 -42.32 70.88 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.198 0.599 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.67 0.75 50.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 122.707 0.403 . . . . 0.0 110.473 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.69 -35.57 55.73 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 122.325 0.25 . . . . 0.0 110.589 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -77.69 -12.72 60.0 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.593 0.558 . . . . 0.0 110.413 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.25 142.86 56.77 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -69.99 -18.49 63.33 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.85 -24.95 60.95 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.601 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -66.69 -52.23 47.05 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 121.123 0.487 . . . . 0.0 110.698 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -73.74 -16.67 61.17 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.798 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.99 79.2 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.133 0.573 . . . . 0.0 109.941 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.9 115.73 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -70.15 -41.45 73.83 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.09 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -85.45 107.46 17.42 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.263 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.56 73.91 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 123.653 0.781 . . . . 0.0 109.505 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.23 -38.38 86.45 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.686 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.04 -36.8 85.51 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -64.14 -41.23 97.27 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.25 -40.74 96.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.773 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.51 70.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.07 -40.55 96.5 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.522 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.09 -46.53 89.28 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.236 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.04 -40.55 78.51 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.012 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.26 -49.33 77.51 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.558 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.76 -45.28 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.74 93.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.72 60.39 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 122.972 0.509 . . . . 0.0 111.152 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.39 88.05 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.556 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.36 0.6 . . . . 0.0 110.312 179.573 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 5' ' ' ILE . 51.3 mt . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.2 mtt 44.43 28.01 0.27 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 121.221 0.534 . . . . 0.0 110.288 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.43 -39.34 90.43 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.691 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.54 93.85 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 123.922 0.764 . . . . 0.0 110.699 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.41 -43.39 90.71 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.037 0.535 . . . . 0.0 111.039 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.46 -42.84 95.71 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.06 -40.56 98.06 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.372 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -63.55 -50.49 69.31 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -62.11 -40.68 96.71 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-O 121.852 0.834 . . . . 0.0 110.878 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -57.83 -38.74 76.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.044 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 tpt -67.84 -43.33 79.78 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.637 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.3 mtp -61.05 -43.86 98.25 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.96 -37.71 75.88 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-O 121.209 0.528 . . . . 0.0 109.59 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -80.46 -20.6 43.4 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.634 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.82 6.18 45.39 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.2 tptp -24.19 117.47 0.05 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 O-C-N 124.19 0.931 . . . . 0.0 109.245 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -136.25 173.6 11.53 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.81 0.693 . . . . 0.0 109.385 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.629 ' H ' HD22 ' A' ' 22' ' ' ASN . 3.4 m-80 -45.63 120.27 4.91 Favored Pre-proline 0 CA--C 1.59 2.483 0 O-C-N 123.73 0.644 . . . . 0.0 110.552 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.79 -17.73 42.03 Favored 'Trans proline' 0 N--CA 1.528 3.534 0 C-N-CA 122.254 1.969 . . . . 0.0 112.518 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -89.83 -5.06 57.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.652 0.595 . . . . 0.0 111.342 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 155.08 40.5 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 m -95.31 166.54 11.84 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -61.3 -43.29 99.12 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.98 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -58.49 -41.05 84.44 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -69.19 -45.23 70.44 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.253 0.549 . . . . 0.0 110.596 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.0 -45.81 84.03 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.358 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.69 -39.8 91.66 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.243 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.81 74.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 123.584 0.553 . . . . 0.0 109.84 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.62 -43.77 62.84 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.696 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -94.81 2.55 55.49 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 123.101 0.56 . . . . 0.0 110.544 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.49 -38.37 59.31 Favored 'General case' 0 N--CA 1.503 2.175 0 C-N-CA 122.846 0.458 . . . . 0.0 110.928 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.06 -13.53 59.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.66 141.48 58.76 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.97 -35.38 81.01 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.317 0.647 . . . . 0.0 111.396 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -66.55 -25.43 66.65 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.411 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.65 -51.54 40.92 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.969 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -75.3 -15.68 60.49 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.35 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.87 82.01 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -88.22 119.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.34 -44.91 61.94 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.353 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.31 124.24 27.87 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.429 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -82.97 -25.79 31.95 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -64.37 -39.07 93.15 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.92 -37.72 88.57 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.639 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -66.15 -41.44 90.42 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 121.164 0.507 . . . . 0.0 110.097 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -64.21 -42.68 96.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.213 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.8 83.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -63.03 -44.15 96.74 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.907 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.21 -47.92 83.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.149 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -61.62 -43.43 98.87 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.906 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.79 -38.52 76.7 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.715 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -61.07 -48.71 80.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -64.09 -45.62 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 123.528 0.518 . . . . 0.0 110.219 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.68 96.5 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.725 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.71 61.2 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.475 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.19 86.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.617 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.765 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.5 mm . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 47.17 19.85 0.12 Allowed 'General case' 0 C--N 1.389 2.286 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.082 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.13 -48.78 78.61 Favored 'General case' 0 C--N 1.369 1.446 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.76 88.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.762 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.41 -41.69 93.36 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.891 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -65.91 -39.11 90.28 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.827 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -62.17 -38.62 89.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.074 0.859 . . . . 0.0 109.391 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.27 -50.18 72.73 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.511 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.24 -41.09 99.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.577 0.704 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.67 -39.95 82.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.019 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 tpt -69.54 -44.16 71.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -44.11 97.9 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.36 -37.47 77.64 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.133 0.492 . . . . 0.0 109.956 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.98 -20.54 41.66 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.348 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.24 9.37 28.88 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 19' ' ' ALA . 41.0 tptt -22.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.288 0 O-C-N 124.05 0.844 . . . . 0.0 109.431 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -135.39 173.7 11.43 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.527 1.142 . . . . 0.0 109.862 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -49.8 123.32 14.84 Favored Pre-proline 0 CA--C 1.597 2.774 0 O-C-N 123.865 0.728 . . . . 0.0 110.385 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -69.09 -16.68 40.57 Favored 'Trans proline' 0 N--CA 1.521 3.124 0 C-N-CA 122.347 2.031 . . . . 0.0 112.393 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -90.24 -4.2 57.34 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 123.674 0.609 . . . . 0.0 111.228 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.27 152.66 43.07 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.8 p -97.57 165.62 11.9 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.99 -44.05 97.98 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.043 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -59.2 -39.32 82.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.313 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -70.51 -45.98 64.55 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.124 0.488 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.49 -44.87 89.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.16 -39.3 92.75 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.354 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.22 79.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.361 0.413 . . . . 0.0 109.969 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.38 -43.35 67.05 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.86 3.61 54.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.439 0.462 . . . . 0.0 110.339 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.71 -35.77 56.24 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 122.574 0.349 . . . . 0.0 110.58 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -78.82 -11.98 60.01 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.45 139.81 57.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -64.53 -21.58 66.72 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.126 0.488 . . . . 0.0 111.857 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -70.34 -24.53 63.01 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.426 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -70.28 -52.39 23.29 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.434 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.89 -15.27 60.71 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.105 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.5 77.86 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.153 0.581 . . . . 0.0 109.57 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 mm -95.72 119.68 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -70.33 -41.56 73.07 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.098 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.92 108.31 20.68 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.746 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.56 -10.27 59.51 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -65.26 -40.93 94.61 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.205 0.526 . . . . 0.0 110.499 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.11 -36.87 85.65 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -65.15 -41.74 94.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.79 -43.32 96.67 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.9 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.409 0.624 . . . . 0.0 110.484 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.56 -42.71 95.49 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.93 -47.59 85.17 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.754 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.45 -40.76 97.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -68.58 -41.03 80.24 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.313 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.47 -48.66 80.12 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.189 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.51 95.15 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.527 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.38 -41.72 66.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.554 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.98 93.71 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.825 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 N--CA 1.489 1.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.628 -179.314 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 5' ' ' ILE . 55.9 mt . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.2 mtt 43.88 32.35 0.6 Allowed 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 121.134 0.492 . . . . 0.0 111.066 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -64.37 -41.38 96.74 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.741 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -49.04 78.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.08 -42.35 89.5 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.328 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.69 -39.51 93.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.295 0.569 . . . . 0.0 109.506 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -63.52 -35.03 79.11 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.65 -50.27 69.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.33 -40.99 98.84 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.417 0.627 . . . . 0.0 110.64 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.04 -42.69 94.98 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.06 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.25 -46.13 71.31 Favored 'General case' 0 CA--C 1.568 1.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.77 -42.67 99.8 Favored 'General case' 0 N--CA 1.509 2.521 0 C-N-CA 123.309 0.644 . . . . 0.0 112.576 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.78 -38.72 76.78 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.67 -23.83 42.2 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.672 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.98 6.88 33.78 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.7 tptt -24.65 117.11 0.05 Allowed 'General case' 0 C--N 1.396 2.596 0 O-C-N 124.287 0.992 . . . . 0.0 109.256 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -134.85 173.22 11.95 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.951 0.782 . . . . 0.0 109.42 -176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.88 119.98 4.06 Favored Pre-proline 0 CA--C 1.6 2.886 0 O-C-N 123.766 0.666 . . . . 0.0 110.514 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.79 -17.61 42.06 Favored 'Trans proline' 0 N--CA 1.528 3.546 0 C-N-CA 122.353 2.035 . . . . 0.0 112.168 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -88.8 -6.61 57.26 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 123.564 0.54 . . . . 0.0 111.058 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 152.81 42.25 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.7 p -94.87 168.42 10.81 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.006 0.816 . . . . 0.0 108.86 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -60.59 -42.76 97.38 Favored 'General case' 0 CA--C 1.554 1.135 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.707 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.6 t -58.51 -42.25 87.26 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.471 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -68.58 -45.0 73.2 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.582 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -64.73 -45.01 88.33 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 121.131 0.491 . . . . 0.0 110.978 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.46 -38.22 89.19 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.368 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.33 79.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.262 0.351 . . . . 0.0 110.198 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.6 -42.59 70.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 122.701 0.4 . . . . 0.0 111.479 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -95.26 1.2 54.47 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 122.499 0.32 . . . . 0.0 110.585 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.13 -39.04 63.18 Favored 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 122.665 0.386 . . . . 0.0 110.549 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -77.18 -14.59 59.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.089 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.61 139.3 58.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.4 t -62.43 -22.06 65.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.087 0.47 . . . . 0.0 111.042 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -69.81 -25.79 63.94 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.08 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -68.09 -51.59 44.68 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 121.057 0.455 . . . . 0.0 111.104 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -76.46 -14.87 60.02 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.628 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.43 80.6 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.146 0.578 . . . . 0.0 109.901 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.12 117.17 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.65 -43.34 69.39 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.79 0.836 . . . . 0.0 110.569 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -91.87 107.33 19.13 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.502 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.4 mtt -72.41 -11.25 60.61 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.323 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.71 -41.33 92.41 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -34.65 78.74 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 -65.15 -42.55 93.65 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.48 -44.5 86.9 Favored 'General case' 0 C--N 1.378 1.809 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.55 77.08 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.224 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.01 -42.3 99.8 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.763 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -58.17 -46.68 85.32 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.07 -41.54 98.27 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.09 -40.26 78.52 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.55 -49.04 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.662 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.7 t -64.32 -45.2 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.61 95.36 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.03 62.4 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.681 0.393 . . . . 0.0 111.325 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.67 91.47 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.709 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.6 mt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.9 mtt 44.85 26.07 0.18 Allowed 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.337 0.589 . . . . 0.0 110.054 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -59.93 -41.83 92.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.424 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.39 98.95 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.091 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -65.38 -44.73 86.62 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.289 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -66.0 -41.09 91.5 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.446 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.1 -39.21 91.7 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.2 -48.76 76.94 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.125 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.21 -42.56 99.41 Favored 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.374 0.607 . . . . 0.0 111.619 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.07 -39.3 85.56 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.339 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.68 -44.51 90.09 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.0 mtp -63.99 -43.17 96.53 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 17.4 pt-20 -68.45 -32.46 72.49 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.7 -19.32 26.29 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 123.174 0.59 . . . . 0.0 111.065 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -93.17 10.39 31.95 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 118.904 -0.569 . . . . 0.0 110.36 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' ALA . 53.0 mtmt -26.29 119.79 0.08 Allowed 'General case' 0 C--N 1.416 3.493 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -173.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -133.73 172.56 12.6 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.45 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -47.18 120.89 7.01 Favored Pre-proline 0 CA--C 1.605 3.079 0 CA-C-O 118.83 -0.605 . . . . 0.0 110.561 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.25 -17.03 44.86 Favored 'Trans proline' 0 N--CA 1.53 3.661 0 C-N-CA 122.372 2.048 . . . . 0.0 112.243 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -89.62 -5.37 57.21 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.5 0.5 . . . . 0.0 111.028 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 151.86 43.64 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -96.46 169.24 10.05 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.058 0.849 . . . . 0.0 108.907 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.46 -44.1 93.05 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.531 0.732 . . . . 0.0 110.597 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -58.05 -43.27 86.78 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.675 0.39 . . . . 0.0 111.076 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -69.55 -45.42 68.79 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.01 -45.68 84.53 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.211 0.529 . . . . 0.0 111.103 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.25 -39.93 89.83 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.1 -36.86 73.49 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -73.45 -43.69 59.77 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.99 1.64 55.23 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 122.54 0.336 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.91 -36.82 50.22 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 122.866 0.466 . . . . 0.0 110.225 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -81.12 -12.08 59.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.433 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.93 140.12 58.31 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -65.06 -33.49 76.15 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.49 0.662 . . . . 0.0 111.249 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 -25.21 63.44 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.996 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -69.17 -51.96 32.89 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 120.924 0.392 . . . . 0.0 110.731 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -72.69 -14.64 61.62 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.655 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.15 79.03 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.308 0.643 . . . . 0.0 109.469 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.2 mt -79.92 123.72 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 pm0 -80.97 -44.17 18.57 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.413 0.685 . . . . 0.0 109.538 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.2 108.91 9.45 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.859 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 49.4 ttp -64.94 -36.85 85.7 Favored 'General case' 0 CA--C 1.57 1.741 0 CA-C-O 121.386 0.613 . . . . 0.0 110.181 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.26 -37.31 82.64 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.921 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -35.29 80.59 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -43.68 98.44 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.368 1.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.533 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -49.73 74.78 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.837 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.31 -41.99 96.57 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.764 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -60.6 -47.89 84.2 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.177 0.513 . . . . 0.0 110.078 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.15 -41.3 99.24 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.783 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.31 -42.29 79.61 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.166 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.78 -48.18 81.81 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.503 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -44.79 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.54 93.54 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.783 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.14 57.41 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.554 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.73 87.97 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 122.582 0.353 . . . . 0.0 110.4 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.516 0.674 . . . . 0.0 110.524 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--O 1.245 0.826 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 81.4 mtp 38.16 25.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.033 0.533 . . . . 0.0 111.947 176.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.209 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.49 95.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.118 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -65.4 -43.07 91.76 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.652 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -65.61 -39.19 91.26 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.09 -37.91 89.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.353 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.91 -48.24 81.35 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.857 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.02 -41.61 99.59 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 121.616 0.722 . . . . 0.0 111.024 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.81 -39.06 87.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.0 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 tpt -69.96 -43.79 70.81 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.32 -41.37 96.85 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.09 -42.93 83.79 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.03 0.443 . . . . 0.0 111.595 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.45 -16.78 53.58 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.042 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.66 4.92 47.98 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.917 0.487 . . . . 0.0 109.711 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.0 tptp -23.91 118.44 0.04 OUTLIER 'General case' 0 C--N 1.376 1.745 0 O-C-N 124.354 1.034 . . . . 0.0 109.568 -173.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.54 173.27 11.9 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 123.819 0.699 . . . . 0.0 109.345 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -44.81 119.84 3.97 Favored Pre-proline 0 CA--C 1.582 2.205 0 O-C-N 124.016 0.823 . . . . 0.0 110.319 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -69.12 -17.4 40.48 Favored 'Trans proline' 0 N--CA 1.52 3.044 0 C-N-CA 122.171 1.914 . . . . 0.0 112.541 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.36 -5.78 57.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.733 0.645 . . . . 0.0 111.376 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 150.67 44.02 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -93.66 169.28 10.45 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.78 -42.64 97.94 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.754 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.5 t -58.38 -42.2 86.53 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.545 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -69.01 -44.86 71.92 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.982 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.68 -46.44 82.4 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.047 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.06 -39.64 93.57 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.199 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.33 79.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 123.618 0.574 . . . . 0.0 109.948 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.35 -44.11 65.69 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.839 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.94 3.19 55.24 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 123.587 0.555 . . . . 0.0 110.279 -177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.48 -36.83 55.88 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 120.77 0.319 . . . . 0.0 110.686 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.51 -13.31 60.1 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.076 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.7 140.65 58.89 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -68.08 -27.82 66.83 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 121.029 0.443 . . . . 0.0 111.396 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -70.65 -23.0 62.44 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -68.7 -53.07 24.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.079 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -74.68 -15.36 60.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.938 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.89 85.42 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.72 121.75 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -73.79 -45.34 52.15 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 123.523 0.729 . . . . 0.0 111.549 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.92 107.44 12.7 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.554 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.478 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 48.9 ttp -67.69 -35.33 78.63 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.123 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -59.27 -37.04 76.64 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.866 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.46 -39.01 93.33 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.631 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.2 mtm180 -64.53 -39.45 93.79 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.281 0.562 . . . . 0.0 110.823 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.62 -41.53 98.27 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.789 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.61 86.83 Favored 'General case' 0 C--N 1.362 1.148 0 CA-C-O 121.215 0.531 . . . . 0.0 110.057 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.12 -42.27 96.91 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.736 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.83 -48.06 82.65 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.926 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.7 -41.44 99.12 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.211 0.529 . . . . 0.0 110.024 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.88 -41.12 78.75 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.25 -48.29 82.11 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.582 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.21 -45.31 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.46 95.44 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.567 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.77 64.58 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.381 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.63 87.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.762 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 . . . . . 0 N--CA 1.482 1.148 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.445 -179.065 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 mmt 44.02 31.48 0.53 Allowed 'General case' 0 N--CA 1.508 2.434 0 CA-C-O 120.938 0.399 . . . . 0.0 111.244 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.13 -41.56 96.95 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.966 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.51 73.81 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.494 0.317 . . . . 0.0 110.818 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -65.37 -41.65 93.57 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.715 0.406 . . . . 0.0 111.011 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.02 -43.52 95.37 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -63.2 -39.23 94.06 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.942 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -64.13 -50.62 67.52 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.36 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.19 -43.25 98.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.132 0.492 . . . . 0.0 110.512 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.61 -43.39 97.51 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.196 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.1 tpt -66.39 -43.31 86.21 Favored 'General case' 0 CA--C 1.576 1.974 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.975 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.2 mmm -65.17 -41.97 94.13 Favored 'General case' 0 N--CA 1.516 2.83 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -68.45 -39.25 81.52 Favored 'General case' 0 N--CA 1.512 2.641 0 O-C-N 122.203 -0.311 . . . . 0.0 111.085 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -16.07 41.01 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.175 0.59 . . . . 0.0 111.399 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.31 15.46 10.47 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 118.787 -0.625 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ALA . 71.5 mmtt -23.66 116.08 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.232 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -175.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -132.88 169.95 16.03 Favored 'General case' 0 C--O 1.243 0.723 0 O-C-N 124.681 1.238 . . . . 0.0 108.363 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -50.61 121.52 14.66 Favored Pre-proline 0 CA--C 1.604 3.048 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.346 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.09 -16.7 45.17 Favored 'Trans proline' 0 N--CA 1.532 3.762 0 C-N-CA 122.332 2.021 . . . . 0.0 112.143 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.12 -6.41 55.44 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 123.705 0.628 . . . . 0.0 111.196 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.37 156.12 39.86 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 m -97.27 164.99 12.25 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -60.59 -42.75 97.35 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.465 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.7 t -58.65 -41.74 86.77 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.839 0.456 . . . . 0.0 110.783 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.75 -43.78 79.1 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 120.945 0.403 . . . . 0.0 110.087 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.43 -45.1 85.2 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 121.211 0.529 . . . . 0.0 110.951 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.88 -38.65 89.35 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.735 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.36 84.75 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.033 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -71.03 -43.38 68.02 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.022 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -92.81 3.95 54.72 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 122.462 0.305 . . . . 0.0 110.897 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.25 -40.64 61.95 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 122.586 0.355 . . . . 0.0 110.677 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -79.38 0.22 30.05 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.785 0.434 . . . . 0.0 111.333 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -82.72 124.93 30.69 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.9 p -57.45 -27.93 62.89 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.718 0.407 . . . . 0.0 110.499 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -64.95 -28.2 69.36 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 44.2 t80 -68.43 -45.13 73.38 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.433 0.635 . . . . 0.0 110.012 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.61 -11.42 60.64 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.513 -1.222 . . . . 0.0 111.158 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.1 90.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.024 0.53 . . . . 0.0 110.487 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 43' ' ' ILE . 3.1 mp -85.36 129.09 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -87.31 -44.01 11.73 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.356 0.598 . . . . 0.0 109.514 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.4 141.83 41.3 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.139 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -103.07 -26.38 13.07 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 123.803 0.841 . . . . 0.0 110.239 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.3 -35.24 80.41 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' NH1' ' CE2' ' A' ' 40' ' ' PHE . 78.3 mtt180 -64.49 -44.9 89.51 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -65.53 -43.93 88.46 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.612 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.77 75.04 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.081 0.467 . . . . 0.0 110.334 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.0 -42.67 97.09 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.52 -46.72 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.959 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.07 -41.42 98.15 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.259 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.98 -40.19 83.17 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.88 -48.09 82.08 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.821 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.71 -44.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.14 93.29 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.61 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.93 -41.58 61.86 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.852 0.461 . . . . 0.0 111.534 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.18 90.23 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.907 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.74 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.243 0.754 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.8 mtt 46.32 21.52 0.12 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.704 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.83 -45.22 93.61 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.882 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.22 87.04 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.105 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.13 -43.39 95.39 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.312 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.79 -43.24 93.84 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.649 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -40.43 94.81 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.124 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -64.28 -49.7 70.82 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.822 0.82 . . . . 0.0 110.276 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.24 -44.07 97.4 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.926 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.32 -36.5 75.76 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.639 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 tpt -70.85 -43.17 69.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.1 mmm -61.64 -43.36 99.01 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.411 -176.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.62 -35.72 75.52 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.114 0.483 . . . . 0.0 110.638 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -81.8 -17.92 45.89 Favored 'General case' 0 C--N 1.367 1.351 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.379 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -95.54 5.91 50.32 Favored 'General case' 0 CA--C 1.491 -1.322 0 O-C-N 124.651 1.219 . . . . 0.0 109.538 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 19' ' ' ALA . 36.9 ttpt -25.82 120.45 0.07 Allowed 'General case' 0 C--N 1.362 1.141 0 O-C-N 124.189 0.931 . . . . 0.0 110.743 -175.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -135.85 172.69 12.64 Favored 'General case' 0 CA--C 1.481 -1.688 0 O-C-N 124.538 1.149 . . . . 0.0 109.77 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.9 m-80 -43.38 108.59 0.69 Allowed Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 125.113 1.508 . . . . 0.0 109.05 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.44 -31.9 92.55 Favored 'Trans proline' 0 N--CA 1.532 3.79 0 C-N-CA 122.584 2.189 . . . . 0.0 113.3 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -74.31 -5.16 40.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.358 1.036 . . . . 0.0 111.803 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.85 160.15 30.25 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.0 p -98.84 166.99 11.04 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 124.533 1.146 . . . . 0.0 108.714 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.96 -44.51 97.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.489 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -56.08 -41.0 74.44 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.262 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.31 -44.47 71.69 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.56 0.695 . . . . 0.0 110.969 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.52 -46.33 83.4 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.09 -39.52 94.23 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.23 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.93 77.99 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 123.459 0.474 . . . . 0.0 110.382 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -72.71 -41.82 64.83 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 123.585 0.553 . . . . 0.0 111.833 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.12 2.72 53.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 124.337 1.023 . . . . 0.0 110.03 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.71 -37.6 51.57 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.522 0.329 . . . . 0.0 110.178 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.15 -10.4 59.76 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.44 141.82 57.79 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -67.01 -30.78 70.98 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.329 0.585 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -68.94 -21.49 64.19 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.177 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.53 -52.32 18.87 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 124.14 0.9 . . . . 0.0 110.949 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.72 -12.94 60.06 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.752 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.08 -35.99 82.1 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' LYS . 71.5 mt -92.33 123.05 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -71.91 -45.97 59.32 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.203 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 43' ' ' ILE . 68.5 mttm -79.68 135.07 36.45 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.254 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.414 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 14.2 ptt? -97.35 -23.48 16.09 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.218 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -63.4 -40.2 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 122.625 0.37 . . . . 0.0 111.409 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.61 -38.49 90.4 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.142 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 78.9 mtm180 -65.95 -40.42 91.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.357 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.03 -42.4 94.39 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.284 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.01 91.32 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.522 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -58.21 -47.42 83.55 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.431 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.92 -42.11 98.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.915 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.5 -39.4 77.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.422 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.32 -48.0 83.37 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.38 -45.75 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.977 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.63 94.79 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.16 -42.66 59.58 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.568 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.91 89.96 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.352 0.703 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.737 -178.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 5' ' ' ILE . 50.1 mt . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 46.76 27.92 0.74 Allowed 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -62.67 -40.87 98.43 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.398 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.24 81.95 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.838 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.17 -41.16 94.9 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.962 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.4 -43.43 94.44 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 121.539 0.685 . . . . 0.0 109.792 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.75 -38.46 91.17 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.819 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -62.86 -49.68 73.9 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.9 -41.77 99.55 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-O 121.56 0.695 . . . . 0.0 111.019 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -59.35 -41.25 88.75 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.513 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.9 ttp -68.1 -44.68 75.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.738 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mmm -62.16 -43.52 98.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.25 -37.7 78.07 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.306 0.574 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -80.01 -20.94 44.22 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.303 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -90.63 12.47 18.84 Favored 'General case' 0 CA--C 1.496 -1.125 0 O-C-N 123.837 0.711 . . . . 0.0 109.772 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 19' ' ' ALA . 5.3 tppt? -23.07 118.26 0.04 OUTLIER 'General case' 0 C--N 1.372 1.586 0 O-C-N 124.129 0.893 . . . . 0.0 110.492 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.62 173.94 11.16 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.266 0.978 . . . . 0.0 109.342 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.531 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.6 m-80 -49.05 121.92 11.07 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 124.999 1.437 . . . . 0.0 110.109 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -69.04 -16.56 40.71 Favored 'Trans proline' 0 N--CA 1.528 3.538 0 C-N-CA 122.251 1.967 . . . . 0.0 112.736 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -91.06 -2.21 57.67 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.931 0.77 . . . . 0.0 111.777 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.26 155.93 37.75 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -99.47 167.61 10.51 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.518 1.136 . . . . 0.0 108.105 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.74 -44.63 96.44 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.237 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.8 m -56.42 -40.65 75.06 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -70.79 -45.66 64.29 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.303 0.573 . . . . 0.0 111.434 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.68 -46.61 81.69 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.383 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.56 -39.38 91.63 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.668 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -37.59 74.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.871 0.732 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.47 -41.77 60.18 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.075 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -95.13 1.11 54.79 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.376 0.671 . . . . 0.0 110.161 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.49 -37.81 50.93 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 120.922 0.392 . . . . 0.0 110.526 -176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.73 -11.68 59.83 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.928 -178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -70.97 142.05 51.02 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -69.7 -33.84 73.08 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.926 0.766 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.04 -29.63 70.97 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.024 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -68.0 -48.08 66.74 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.482 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -69.12 -10.65 58.69 Favored 'General case' 0 N--CA 1.504 2.256 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.11 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.65 88.15 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.227 0.955 . . . . 0.0 109.704 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.5 mt -83.53 128.22 39.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -86.55 -45.17 11.33 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -77.87 115.33 17.53 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.189 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 83.7 mtp -65.9 -35.18 79.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.893 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -61.26 -38.15 85.67 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.997 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.11 -34.78 79.23 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.423 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.17 -43.98 96.73 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.449 0.642 . . . . 0.0 109.469 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -65.44 -43.57 90.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.726 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.61 78.02 Favored 'General case' 0 C--N 1.362 1.151 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.21 -43.11 99.06 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.69 -46.97 87.47 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.141 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.12 -42.16 98.95 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.046 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.56 -39.63 77.27 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.621 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.09 -48.01 83.69 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.485 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.15 -45.84 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.351 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.43 95.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.57 -41.88 65.24 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 123.694 0.621 . . . . 0.0 111.334 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.55 89.99 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.502 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 . . . . . 0 C--N 1.361 1.099 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.545 -178.834 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 5' ' ' ILE . 58.1 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.792 0.33 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtm 40.37 34.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -66.31 -38.17 87.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.579 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.99 99.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.18 -40.89 94.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.73 -38.58 86.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -63.49 -40.37 96.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.83 -48.33 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.41 -41.4 98.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.69 -33.99 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.7 tpt -75.26 -38.53 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.525 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 mmm -67.01 -44.58 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 12.1 pt-20 -69.01 -35.37 76.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -7.52 56.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.612 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.594 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -99.16 16.27 23.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 19' ' ' ALA . 26.7 mmtp -21.47 117.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -135.74 172.8 12.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.536 ' H ' HD22 ' A' ' 22' ' ' ASN . 3.9 m-80 -49.62 122.34 13.11 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.85 -16.88 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.748 2.299 . . . . 0.0 112.158 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.43 0.03 57.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.81 158.79 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.2 p -101.78 168.24 9.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.606 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.62 -42.07 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -56.7 -41.18 76.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.3 -42.54 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.41 -43.5 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -66.39 -38.08 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.99 68.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -78.46 -37.15 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.35 0.88 46.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.89 -39.72 59.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -80.38 11.97 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.47 140.62 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 m -69.4 -23.01 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -72.44 -17.65 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.48 -50.27 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -73.17 -4.93 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mt -97.82 118.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.546 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.47 -42.59 87.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -81.51 137.82 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.6 mtt -100.74 -12.96 18.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -65.08 -38.51 91.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -66.36 -35.86 81.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.62 -41.1 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.79 -40.48 95.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.26 -47.98 83.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.89 -41.46 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.8 -41.39 97.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.61 -36.98 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.622 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.94 -48.39 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.11 -44.21 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.42 89.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.486 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.36 89.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -178.853 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 39.31 37.12 0.24 Allowed 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.388 0.613 . . . . 0.0 111.232 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.11 -36.49 77.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.035 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.7 79.13 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.907 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.62 -43.69 92.94 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.359 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.46 -42.92 91.79 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.243 0.544 . . . . 0.0 110.104 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.02 -38.37 90.83 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.058 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CA ' HH21 ' A' ' 39' ' ' ARG . 67.5 t80 -65.0 -49.75 69.01 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.072 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -61.74 -42.77 99.4 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.645 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -58.19 -40.63 82.02 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 113.701 -1.591 . . . . 0.0 109.045 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.23 -42.51 79.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.729 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -42.87 99.24 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.65 -38.39 77.1 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.253 0.549 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.5 -20.48 47.16 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.23 10.14 23.2 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 21.9 tptp -22.99 117.49 0.04 OUTLIER 'General case' 0 C--N 1.382 1.989 0 O-C-N 124.018 0.824 . . . . 0.0 109.457 -173.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -135.32 173.61 11.53 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.024 0.827 . . . . 0.0 109.611 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.646 ' H ' HD22 ' A' ' 22' ' ' ASN . 2.9 m-80 -49.61 121.26 11.81 Favored Pre-proline 0 CA--C 1.591 2.555 0 O-C-N 123.899 0.749 . . . . 0.0 110.033 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.78 -17.14 42.24 Favored 'Trans proline' 0 N--CA 1.522 3.151 0 C-N-CA 122.261 1.974 . . . . 0.0 112.139 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.46 -2.74 57.94 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.8 0.44 . . . . 0.0 111.348 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.04 157.44 36.11 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -101.43 166.78 10.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.86 -43.43 98.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.008 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -57.78 -42.85 84.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.744 0.418 . . . . 0.0 110.81 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.56 -44.89 69.96 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.112 0.482 . . . . 0.0 110.732 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -64.67 -44.69 89.55 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 121.116 0.484 . . . . 0.0 111.309 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.8 -39.09 93.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.039 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.39 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.909 0.484 . . . . 0.0 110.465 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -71.24 -42.08 69.31 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.759 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.55 2.07 54.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 123.445 0.466 . . . . 0.0 109.985 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.08 -38.07 62.23 Favored 'General case' 0 N--CA 1.505 2.32 0 C-N-CA 122.455 0.302 . . . . 0.0 110.685 -176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.69 -13.44 60.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -64.14 141.17 58.86 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 m -65.56 -26.62 67.96 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.905 0.482 . . . . 0.0 110.287 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 HH21 ' CA ' ' A' ' 12' ' ' PHE . 66.7 mtp85 -70.32 -24.05 62.94 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.532 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -67.67 -52.31 39.53 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -74.85 -16.18 60.69 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.46 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.71 -34.92 78.94 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.3 mm -93.0 119.65 41.05 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.44 -42.36 75.07 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.125 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.17 108.71 21.47 Favored 'General case' 0 C--N 1.373 1.63 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.6 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -71.43 -9.81 58.77 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.569 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.2 -40.86 94.78 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.325 0.583 . . . . 0.0 110.273 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.75 -37.04 86.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -64.31 -40.18 95.41 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.39 0.614 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -63.03 -42.25 99.72 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.653 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.75 76.5 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.83 -41.97 95.32 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.457 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.32 -48.04 83.12 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.691 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.81 -41.13 99.16 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.813 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -68.24 -41.85 80.56 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.038 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.22 -48.56 80.95 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.89 -45.52 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.028 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.64 95.73 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.605 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.57 66.37 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.39 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.7 92.07 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.583 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 N--CA 1.483 1.177 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.567 -179.549 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.9 mmm 46.66 23.27 0.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.794 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.21 -44.1 95.43 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.224 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.09 79.09 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.885 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.41 -40.11 92.96 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.951 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -63.3 -40.04 96.25 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -69.29 -32.5 71.7 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.809 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' HA ' HH22 ' A' ' 39' ' ' ARG . 52.2 t80 -64.41 -54.66 29.19 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.144 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -64.69 -38.83 92.35 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.464 0.65 . . . . 0.0 110.779 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.08 -43.8 98.34 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.835 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.0 tpt -68.84 -45.58 70.77 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.702 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.3 mmm -63.02 -42.6 99.83 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.45 -38.41 77.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.43 -23.15 40.5 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.747 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -88.76 12.78 14.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.7 tppt? -23.11 117.59 0.04 OUTLIER 'General case' 0 C--N 1.386 2.192 0 O-C-N 123.859 0.724 . . . . 0.0 109.59 -174.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.65 172.8 12.44 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.305 1.003 . . . . 0.0 109.374 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -49.02 121.92 11.0 Favored Pre-proline 0 CA--C 1.605 3.058 0 O-C-N 123.823 0.702 . . . . 0.0 110.358 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.19 -18.81 39.53 Favored 'Trans proline' 0 N--CA 1.526 3.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.42 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -88.05 -4.45 58.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 123.771 0.669 . . . . 0.0 111.395 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 153.37 42.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -96.5 164.53 12.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.18 -44.24 97.6 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.761 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -59.44 -38.02 79.61 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.24 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -71.29 -45.51 62.93 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 121.043 0.449 . . . . 0.0 109.949 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -64.66 -44.73 89.47 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.212 0.529 . . . . 0.0 110.994 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.07 -39.36 93.14 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.318 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.93 76.2 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -70.84 -43.31 68.79 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -96.31 2.72 53.06 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 123.13 0.268 . . . . 0.0 110.95 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -53.19 -36.6 61.13 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.631 0.372 . . . . 0.0 110.609 -177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 -13.27 59.89 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.419 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.5 139.61 53.88 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -63.07 -21.36 66.12 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.03 0.443 . . . . 0.0 110.857 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' A' ' 12' ' ' PHE . 29.0 mtp85 -62.86 -33.63 75.67 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.773 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.54 -45.32 72.5 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.323 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -78.44 -14.96 59.14 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.2 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.2 -36.5 81.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.081 0.552 . . . . 0.0 109.777 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -96.32 118.12 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -70.1 -42.1 73.14 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.56 106.44 18.41 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.53 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 mtm -70.64 -11.97 61.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.987 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.95 -41.28 95.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.453 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.18 -36.71 85.06 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.146 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -65.67 -41.94 91.89 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.5 -43.41 94.21 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.615 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.73 -48.43 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.103 0.478 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.32 -41.46 98.91 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.883 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.59 -46.04 90.13 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.859 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.44 -41.46 98.75 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.917 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.08 -39.81 78.82 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.7 -48.61 79.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.428 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.33 -44.77 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.66 92.85 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.72 59.91 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.194 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.62 86.97 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 . . . . . 0 C--N 1.364 1.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 mt . . . . . 0 CA--C 1.573 1.85 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 70.5 mtm 39.13 38.24 0.3 Allowed 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.157 0.503 . . . . 0.0 110.573 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.62 -37.85 85.46 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.148 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.78 94.22 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.526 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -65.48 -43.46 90.2 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -39.32 90.26 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.72 -38.74 92.24 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.61 -48.91 77.35 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.201 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.18 -41.59 99.23 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.244 0.545 . . . . 0.0 110.865 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.28 -42.02 90.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.669 -1.15 . . . . 0.0 108.948 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.2 tpt -67.15 -43.87 81.21 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.643 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mmm -63.0 -42.93 99.98 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 123.402 0.681 . . . . 0.0 112.127 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.13 -29.37 66.28 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.64 -19.01 23.14 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.273 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.76 6.53 45.62 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.306 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ALA . 14.9 mmmt -23.54 116.16 0.04 OUTLIER 'General case' 0 C--N 1.393 2.481 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 -175.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -134.71 172.86 12.36 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.925 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' H ' HD22 ' A' ' 22' ' ' ASN . 4.6 m-80 -45.72 119.67 4.75 Favored Pre-proline 0 CA--C 1.6 2.877 0 O-C-N 123.751 0.657 . . . . 0.0 110.238 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.88 -16.84 41.66 Favored 'Trans proline' 0 N--CA 1.524 3.298 0 C-N-CA 122.572 2.181 . . . . 0.0 112.053 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -89.58 -4.86 57.66 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 123.725 0.64 . . . . 0.0 111.224 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.54 151.92 42.16 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -93.09 169.17 10.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -61.05 -44.08 97.93 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 123.644 0.59 . . . . 0.0 110.997 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -58.29 -37.56 75.28 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.65 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -72.2 -44.95 62.21 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 122.299 0.239 . . . . 0.0 110.874 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -65.61 -46.02 80.91 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-O 121.133 0.492 . . . . 0.0 110.896 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.45 -40.42 93.22 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.537 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.11 81.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.67 -44.15 64.79 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.676 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -94.76 1.66 55.46 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.727 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.72 -35.68 44.01 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 122.777 0.431 . . . . 0.0 110.563 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.77 -11.92 60.0 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.544 0.527 . . . . 0.0 110.784 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.03 142.73 55.8 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -66.79 -33.03 74.73 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.198 0.599 . . . . 0.0 111.534 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -66.29 -25.47 66.87 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.77 -52.13 33.7 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 121.028 0.442 . . . . 0.0 111.433 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -76.14 -15.31 60.1 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.26 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.16 82.93 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 123.014 0.526 . . . . 0.0 109.687 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.7 mt -86.08 119.22 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.71 -44.29 64.43 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.162 0.506 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -80.65 106.46 12.68 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.5 ptm -66.49 -26.57 67.24 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.568 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.82 -39.3 93.89 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.9 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.22 -37.53 87.57 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -65.91 -41.06 91.94 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.0 -42.86 94.09 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.05 87.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 mt -63.49 -42.44 98.53 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.717 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.43 -48.26 82.32 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.332 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.62 -41.8 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.646 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.4 -40.21 77.5 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.94 -48.71 79.21 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.393 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.17 -44.91 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.104 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.19 94.61 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.76 58.73 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.29 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.83 82.65 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 121.339 0.59 . . . . 0.0 110.632 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 5' ' ' ILE . 60.2 mt . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.4 mmt 49.06 20.93 0.43 Allowed 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.196 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.77 -46.22 89.86 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.65 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.94 99.15 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -65.9 -43.31 88.59 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.179 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -66.6 -40.3 88.81 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.95 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -62.62 -38.65 91.07 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.49 -46.97 86.04 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.174 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.4 -43.01 99.84 Favored 'General case' 0 N--CA 1.506 2.327 0 C-N-CA 123.186 0.594 . . . . 0.0 111.216 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.01 -40.0 91.86 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.643 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.2 tpt -68.64 -45.9 70.6 Favored 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.1 mmm -62.94 -43.36 99.0 Favored 'General case' 0 N--CA 1.512 2.66 0 C-N-CA 123.435 0.694 . . . . 0.0 112.6 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.24 -37.62 74.99 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -80.44 -21.89 41.69 Favored 'General case' 0 N--CA 1.507 2.378 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.69 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -89.1 7.71 33.64 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.0 tppp? -23.58 117.83 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 123.967 0.792 . . . . 0.0 109.556 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.28 173.2 11.98 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.172 0.92 . . . . 0.0 109.45 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -45.96 120.43 5.34 Favored Pre-proline 0 CA--C 1.597 2.788 0 O-C-N 123.766 0.667 . . . . 0.0 110.159 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.26 -17.03 40.02 Favored 'Trans proline' 0 N--CA 1.52 3.037 0 C-N-CA 122.567 2.178 . . . . 0.0 112.04 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -88.64 -6.31 57.59 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 123.502 0.501 . . . . 0.0 111.119 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.61 151.32 45.11 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -94.38 169.72 10.01 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.07 -43.39 98.96 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.889 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.09 -38.96 77.39 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.499 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.61 -44.38 64.53 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 120.698 0.285 . . . . 0.0 110.468 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.27 -45.54 84.07 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -65.97 -39.79 90.69 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.219 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.64 79.92 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.19 -43.44 64.5 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.244 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -94.54 2.58 55.67 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 123.118 0.261 . . . . 0.0 110.881 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -51.97 -38.7 57.54 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.608 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -78.04 -13.34 59.91 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.51 0.506 . . . . 0.0 110.656 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.46 140.74 58.9 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.38 -33.86 76.83 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.822 0.449 . . . . 0.0 111.142 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -68.67 -23.37 64.4 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.19 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 72.6 t80 -70.82 -53.07 16.68 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 121.026 0.441 . . . . 0.0 110.992 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.23 -16.46 61.41 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.792 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.5 75.19 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.026 0.53 . . . . 0.0 109.983 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 mm -91.47 118.88 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -69.26 -43.14 74.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.832 0.853 . . . . 0.0 110.592 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -84.32 134.67 34.5 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.459 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 15.0 ptt? -94.19 -24.76 17.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.996 0.919 . . . . 0.0 109.333 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -63.99 -40.08 95.57 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.191 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.42 -39.54 94.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 86.5 mtm180 -65.5 -38.93 91.14 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.453 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.02 -41.84 97.32 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.86 83.73 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 120.986 0.422 . . . . 0.0 110.553 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.56 -41.4 96.33 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.038 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.2 -47.65 84.52 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.692 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -62.24 -41.64 98.6 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.88 -40.74 79.05 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.54 -48.57 80.44 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.723 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.13 -45.26 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.88 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.85 63.44 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.912 0.485 . . . . 0.0 111.412 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.95 90.42 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.662 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 CA--C 1.563 1.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.493 -179.378 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.6 mpt? 39.84 34.4 0.17 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.108 0.48 . . . . 0.0 110.544 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.63 -38.51 90.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.188 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.52 94.93 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.257 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.82 -42.45 90.58 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.45 -35.22 79.72 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.481 0.657 . . . . 0.0 110.24 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -70.82 -35.44 72.5 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.203 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.71 -52.66 59.53 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.183 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -61.83 -39.32 91.4 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 122.133 0.968 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.94 -40.34 92.88 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.505 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.35 -43.86 69.33 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.52 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.0 mmm -62.91 -42.69 99.88 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.4 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -69.49 -36.39 76.48 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.555 0.693 . . . . 0.0 109.98 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.1 -21.05 36.96 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.11 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -91.51 11.16 24.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 19' ' ' ALA . 18.1 tptm -23.57 118.16 0.04 OUTLIER 'General case' 0 C--N 1.364 1.211 0 O-C-N 124.062 0.851 . . . . 0.0 109.502 -174.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -135.51 173.71 11.42 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -46.41 116.78 3.86 Favored Pre-proline 0 CA--C 1.575 1.939 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.298 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.68 -18.53 37.33 Favored 'Trans proline' 0 N--CA 1.508 2.382 0 C-N-CA 122.501 2.134 . . . . 0.0 112.381 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -88.67 -4.53 58.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.404 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.34 152.89 41.79 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -90.96 163.3 14.4 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.24 -45.35 94.91 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 76.3 p -60.2 -36.88 78.64 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.34 -46.57 60.23 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.108 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -65.72 -45.14 83.84 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.257 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -62.56 -41.77 99.12 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.058 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.17 79.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.197 0.522 . . . . 0.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -70.96 -44.24 66.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.809 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -98.05 3.79 49.31 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.725 0.41 . . . . 0.0 110.215 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.21 -34.09 43.97 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.396 0.435 . . . . 0.0 110.081 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.46 -11.69 59.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.646 0.591 . . . . 0.0 110.869 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.68 140.7 55.44 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 m -64.34 -32.97 74.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.122 0.569 . . . . 0.0 110.592 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.24 -24.75 68.01 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.68 -47.01 64.75 Favored 'General case' 0 CA--C 1.561 1.389 0 CA-C-O 121.692 0.758 . . . . 0.0 109.849 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -76.64 -12.21 59.97 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.588 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.66 87.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.4 mt -96.41 117.87 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.14 -42.92 75.35 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.003 0.814 . . . . 0.0 110.945 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 43' ' ' ILE . 63.4 mttp -80.39 133.56 35.91 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.833 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -94.51 -22.01 18.51 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -39.54 94.05 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.269 0.556 . . . . 0.0 110.802 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.7 -35.8 82.23 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.789 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.2 -41.56 94.4 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.72 -42.76 97.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.23 81.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.248 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.54 -43.4 97.21 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.078 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.73 -47.72 83.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.053 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.8 -41.52 97.86 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.875 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -69.87 -39.66 76.19 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.032 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.47 -48.84 79.28 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.403 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.4 t -64.2 -45.26 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.152 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.16 93.39 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.743 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.17 57.44 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.504 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt 46.78 23.06 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.689 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.06 -44.81 91.88 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.141 -177.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.34 74.21 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -65.43 -40.84 93.78 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.997 0.519 . . . . 0.0 111.286 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.37 -39.69 94.37 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.54 62.33 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.586 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -69.52 -54.76 12.62 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -61.02 -44.16 97.82 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.572 0.701 . . . . 0.0 110.458 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.23 -42.13 94.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.88 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.88 -44.31 97.27 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 123.709 0.63 . . . . 0.0 109.588 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 78.9 mmm -61.95 -39.59 92.64 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 122.907 0.483 . . . . 0.0 112.059 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.32 -53.68 40.24 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-O 120.93 0.395 . . . . 0.0 111.968 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.41 -19.45 61.59 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.499 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -87.08 6.1 34.32 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ALA . 20.3 tptp -23.71 117.11 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 124.214 0.946 . . . . 0.0 109.167 -174.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -134.82 172.72 12.58 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.021 0.826 . . . . 0.0 109.338 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' H ' HD22 ' A' ' 22' ' ' ASN . 10.2 m-80 -47.16 120.89 6.98 Favored Pre-proline 0 CA--C 1.606 3.105 0 O-C-N 123.67 0.606 . . . . 0.0 110.356 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.88 -19.04 40.98 Favored 'Trans proline' 0 N--CA 1.535 3.963 0 C-N-CA 122.602 2.201 . . . . 0.0 112.705 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -88.69 -4.89 58.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 123.912 0.757 . . . . 0.0 111.387 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.51 154.75 41.55 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 m -97.91 164.85 12.2 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -60.58 -44.17 96.5 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.794 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -58.97 -41.13 86.81 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.404 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -70.06 -46.55 64.72 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.002 0.429 . . . . 0.0 110.58 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -64.16 -45.24 89.33 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.18 0.514 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -64.96 -39.66 93.82 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.197 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.76 76.16 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.29 -45.05 63.98 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.586 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -94.82 2.41 55.47 Favored 'General case' 0 N--CA 1.506 2.342 0 C-N-CA 122.835 0.454 . . . . 0.0 110.807 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.23 -36.37 52.15 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 122.868 0.467 . . . . 0.0 110.686 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.78 -13.31 59.88 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.711 0.632 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.64 134.52 51.29 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -64.12 -26.72 68.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.215 0.531 . . . . 0.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -69.36 -27.48 65.37 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 124.375 1.07 . . . . 0.0 110.956 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.41 ' CE2' ' NH1' ' A' ' 49' ' ' ARG . 77.7 t80 -69.71 -47.73 62.08 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-O 121.388 0.613 . . . . 0.0 109.354 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -74.9 -13.97 60.6 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.26 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.53 81.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.232 0.613 . . . . 0.0 109.632 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.62 120.98 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.61 -45.76 20.88 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.412 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -72.27 124.75 25.72 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.027 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.5 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 27.2 ttt -80.41 -37.07 32.87 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.465 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.81 -37.35 84.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.332 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.18 -39.78 94.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.822 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HE ' ' HA ' ' A' ' 46' ' ' MET . 84.1 mtm180 -65.25 -43.46 91.26 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.325 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.19 -42.88 93.16 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.59 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.0 -42.36 99.82 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.071 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.28 -46.42 89.91 Favored 'General case' 0 CA--C 1.561 1.365 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.87 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.52 -41.5 98.89 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.981 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.91 -40.28 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.073 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.25 -49.38 77.34 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.597 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.08 -45.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 123.322 0.389 . . . . 0.0 110.006 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.01 95.54 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.579 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.78 67.04 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 122.975 0.51 . . . . 0.0 111.439 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.08 92.03 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.489 1.511 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.94 -179.839 . . . . . . . . 0 0 . 1 stop_ save_